N-[[2-(chloromethyl)cyclohexyl]methyl]-1-methylimidazo[4,5-c]pyridin-4-amine

C15H21ClN4 — CID 103386425

IUPACN-[[2-(chloromethyl)cyclohexyl]methyl]-1-methylimidazo[4,5-c]pyridin-4-amine
SMILESCn1cnc2c(NCC3CCCCC3CCl)nccc21
InChIInChI=1S/C15H21ClN4/c1-20-10-19-14-13(20)6-7-17-15(14)18-9-12-5-3-2-4-11(12)8-16/h6-7,10-12H,2-5,8-9H2,1H3,(H,17,18)
InChIKeyNKSMLZJBIHIHHZ-UHFFFAOYSA-N
MW292.81 g/mol
LogP3.43
Rot. Bonds4

About N-[[2-(chloromethyl)cyclohexyl]methyl]-1-methylimidazo[4,5-c]pyridin-4-amine

N-[[2-(chloromethyl)cyclohexyl]methyl]-1-methylimidazo[4,5-c]pyridin-4-amine (PubChem CID 103386425) has the molecular formula C15H21ClN4 and a molecular weight of 292.81 g/mol. Its IUPAC name is N-[[2-(chloromethyl)cyclohexyl]methyl]-1-methylimidazo[4,5-c]pyridin-4-amine.

Molecular Properties

Compound NameN-[[2-(chloromethyl)cyclohexyl]methyl]-1-methylimidazo[4,5-c]pyridin-4-amine
PubChem CID103386425
Molecular FormulaC15H21ClN4
Molecular Weight292.81 g/mol
Exact Mass292.15
IUPAC NameN-[[2-(chloromethyl)cyclohexyl]methyl]-1-methylimidazo[4,5-c]pyridin-4-amine
SMILESCn1cnc2c(NCC3CCCCC3CCl)nccc21
InChIInChI=1S/C15H21ClN4/c1-20-10-19-14-13(20)6-7-17-15(14)18-9-12-5-3-2-4-11(12)8-16/h6-7,10-12H,2-5,8-9H2,1H3,(H,17,18)
InChIKeyNKSMLZJBIHIHHZ-UHFFFAOYSA-N
XLogP3.43
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopentylmethyl)-1-methylimidazo[4,5-c]pyridin-4-amine
CID 103385392
N-(2-cyclopentyloxyethyl)-1-methylimidazo[4,5-c]pyridin-4-amine
CID 103385619
1-[[(1-methylimidazo[4,5-c]pyridin-4-yl)amino]methyl]cyclopentan-1-ol
CID 103385664
5-bromo-N-[[2-(chloromethyl)cyclohexyl]methyl]isoquinolin-1-amine
CID 106542787
1-methyl-N-[2-(3-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridin-4-amine
CID 103385635
1-[[2-(chloromethyl)cyclopentyl]methylamino]isoquinolin-7-ol
CID 106542785
N-[[1-(aminomethyl)cyclohexyl]methyl]-1-methylimidazo[4,5-c]pyridin-4-amine
CID 103386537
1-methyl-N-(2-methylbutyl)imidazo[4,5-c]pyridin-4-amine
CID 103385588
N-[1-(aminomethyl)cyclopentyl]-1-methylimidazo[4,5-c]pyridin-4-amine
CID 103386001
1-methyl-N-[(6-methyl-3-pyridinyl)methyl]imidazo[4,5-c]pyridin-4-amine
CID 103385596
1-methyl-N-(2-methylbutan-2-yl)imidazo[4,5-c]pyridin-4-amine
CID 103385802
4-[4-(chloromethyl)piperidin-1-yl]-1-methylimidazo[4,5-c]pyridine
CID 103386393

Frequently Asked Questions

What is the IUPAC name of N-[[2-(chloromethyl)cyclohexyl]methyl]-1-methylimidazo[4,5-c]pyridin-4-amine?
The IUPAC name of N-[[2-(chloromethyl)cyclohexyl]methyl]-1-methylimidazo[4,5-c]pyridin-4-amine (CID 103386425) is N-[[2-(chloromethyl)cyclohexyl]methyl]-1-methylimidazo[4,5-c]pyridin-4-amine.
What is the SMILES notation for N-[[2-(chloromethyl)cyclohexyl]methyl]-1-methylimidazo[4,5-c]pyridin-4-amine?
The canonical SMILES for N-[[2-(chloromethyl)cyclohexyl]methyl]-1-methylimidazo[4,5-c]pyridin-4-amine is Cn1cnc2c(NCC3CCCCC3CCl)nccc21.
What is the InChIKey of N-[[2-(chloromethyl)cyclohexyl]methyl]-1-methylimidazo[4,5-c]pyridin-4-amine?
The InChIKey is NKSMLZJBIHIHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4/c1-20-10-19-14-13(20)6-7-17-15(14)18-9-12-5-3-2-4-11(12)8-16/h6-7,10-12H,2-5,8-9H2,1H3,(H,17,18).
What are the key properties of N-[[2-(chloromethyl)cyclohexyl]methyl]-1-methylimidazo[4,5-c]pyridin-4-amine?
N-[[2-(chloromethyl)cyclohexyl]methyl]-1-methylimidazo[4,5-c]pyridin-4-amine has a molecular weight of 292.81 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(chloromethyl)cyclohexyl]methyl]-1-methylimidazo[4,5-c]pyridin-4-amine is sourced from PubChem (CID 103386425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).