3-methyl-1-N-(1-methylimidazo[4,5-c]pyridin-4-yl)butane-1,2-diamine

C12H19N5 — CID 103386011

IUPAC3-methyl-1-N-(1-methylimidazo[4,5-c]pyridin-4-yl)butane-1,2-diamine
SMILESCC(C)C(N)CNc1nccc2c1ncn2C
InChIInChI=1S/C12H19N5/c1-8(2)9(13)6-15-12-11-10(4-5-14-12)17(3)7-16-11/h4-5,7-9H,6,13H2,1-3H3,(H,14,15)
InChIKeyRCXVLFOOXGLGRO-UHFFFAOYSA-N
MW233.32 g/mol
LogP1.36
Rot. Bonds4

About 3-methyl-1-N-(1-methylimidazo[4,5-c]pyridin-4-yl)butane-1,2-diamine

3-methyl-1-N-(1-methylimidazo[4,5-c]pyridin-4-yl)butane-1,2-diamine (PubChem CID 103386011) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 3-methyl-1-N-(1-methylimidazo[4,5-c]pyridin-4-yl)butane-1,2-diamine.

Molecular Properties

Compound Name3-methyl-1-N-(1-methylimidazo[4,5-c]pyridin-4-yl)butane-1,2-diamine
PubChem CID103386011
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name3-methyl-1-N-(1-methylimidazo[4,5-c]pyridin-4-yl)butane-1,2-diamine
SMILESCC(C)C(N)CNc1nccc2c1ncn2C
InChIInChI=1S/C12H19N5/c1-8(2)9(13)6-15-12-11-10(4-5-14-12)17(3)7-16-11/h4-5,7-9H,6,13H2,1-3H3,(H,14,15)
InChIKeyRCXVLFOOXGLGRO-UHFFFAOYSA-N
XLogP1.36
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-(2-methylbutyl)imidazo[4,5-c]pyridin-4-amine
CID 103385588
1-methyl-N-(2-methyl-3-methylsulfanylpropyl)imidazo[4,5-c]pyridin-4-amine
CID 103385628
N-(3-methoxy-2-methylpropyl)-1-methylimidazo[4,5-c]pyridin-4-amine
CID 103385555
1-methyl-N-(2-phenylpropyl)imidazo[4,5-c]pyridin-4-amine
CID 103385789
4,4-dimethyl-1-[(1-methylimidazo[4,5-c]pyridin-4-yl)amino]pentan-2-ol
CID 107153207
2-[(1-methylimidazo[4,5-c]pyridin-4-yl)amino]-1-phenylethanol
CID 103385395
1-methyl-N-(3-methylsulfanylbutyl)imidazo[4,5-c]pyridin-4-amine
CID 103385824
1-methyl-N-[(4-propan-2-ylphenyl)methyl]imidazo[4,5-c]pyridin-4-amine
CID 103385548
1-methyl-N-(2,2,3,3-tetrafluoropropyl)imidazo[4,5-c]pyridin-4-amine
CID 114169666
N-benzyl-1-methylimidazo[4,5-c]pyridin-4-amine
CID 1400630
N-(2-chloroprop-2-enyl)-1-methylimidazo[4,5-c]pyridin-4-amine
CID 103385795
N-(3-chloro-2,2-dimethylpropyl)-1-methylimidazo[4,5-c]pyridin-4-amine
CID 103386457

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-N-(1-methylimidazo[4,5-c]pyridin-4-yl)butane-1,2-diamine?
The IUPAC name of 3-methyl-1-N-(1-methylimidazo[4,5-c]pyridin-4-yl)butane-1,2-diamine (CID 103386011) is 3-methyl-1-N-(1-methylimidazo[4,5-c]pyridin-4-yl)butane-1,2-diamine.
What is the SMILES notation for 3-methyl-1-N-(1-methylimidazo[4,5-c]pyridin-4-yl)butane-1,2-diamine?
The canonical SMILES for 3-methyl-1-N-(1-methylimidazo[4,5-c]pyridin-4-yl)butane-1,2-diamine is CC(C)C(N)CNc1nccc2c1ncn2C.
What is the InChIKey of 3-methyl-1-N-(1-methylimidazo[4,5-c]pyridin-4-yl)butane-1,2-diamine?
The InChIKey is RCXVLFOOXGLGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-8(2)9(13)6-15-12-11-10(4-5-14-12)17(3)7-16-11/h4-5,7-9H,6,13H2,1-3H3,(H,14,15).
What are the key properties of 3-methyl-1-N-(1-methylimidazo[4,5-c]pyridin-4-yl)butane-1,2-diamine?
3-methyl-1-N-(1-methylimidazo[4,5-c]pyridin-4-yl)butane-1,2-diamine has a molecular weight of 233.32 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-N-(1-methylimidazo[4,5-c]pyridin-4-yl)butane-1,2-diamine is sourced from PubChem (CID 103386011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).