CCCC1=C(C(=O)NC(=C1)C)CN
CAS: 1346575-64-1
Name: 3-(aminomethyl)-6-methyl-4-propyl-1H-pyridin-2-one
SMILES: CCCC1=C(C(=O)NC(=C1)C)CN

Molecular Processing

Molecular formula
C10H16N2O
Molecular weight
180.25
Exact mass
180.1263
XLogP
1.09
TPSA
58.88
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
53.69

Supplementary Information

InChIKey: JBKWKHWTUAUEFI-UHFFFAOYSA-N
Synonyme
1346575-64-1RefChem:4940993-(Aminomethyl)-6-methyl-4-propylpyridin-2(1H)-oneacetate810-554-23-(aminomethyl)-6-methyl-4-propylpyridin-2(1H)-one3-(aminomethyl)-6-methyl-4-propyl-2(1H)-pyridinoneMFCD225812882(1H)-Pyridinone, 3-(aminomethyl)-6-methyl-4-propyl-3-(aminomethyl)-6-methyl-4-propyl-1H-pyridin-2-oneSCHEMBL1694684SCHEMBL13281814JBKWKHWTUAUEFI-UHFFFAOYSA-NAKOS027324923AC-37742DS-11565DB-347645CS-0106608C72377F5414603-aminomethyl-6-methyl-4-propyl-1H-pyridin-2-one3-(amino methyl)-6-methyl-4-propylpyridin-2(1H)-one3-(aminomethyl)-6-methyl-4-propyl-1,2-dihydropyridin-2-one
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