CCC(C)COC1=NC(=CC(=C1)NCCN)C
Name: N'-[2-methyl-6-(2-methylbutoxy)-4-pyridinyl]ethane-1,2-diamine
SMILES: CCC(C)COC1=NC(=CC(=C1)NCCN)C

Molecular Processing

Molecular formula
C13H23N3O
Molecular weight
237.35
Exact mass
237.1841
XLogP
2.19
TPSA
60.17
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.615
Molar refractivity
71.47

Supplementary Information

InChIKey: CJUSXZGKRHGFAK-UHFFFAOYSA-N
Synonyme
SCHEMBL898840CJUSXZGKRHGFAK-UHFFFAOYSA-NN-[2-Methyl-6-(2-methylbutoxy)-4-pyridyl]ethane-1,2-diamineN-[2-methyl-6-(2-methylbutoxy)-4-pyridyl]-ethane-1,2-diamine
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