N-(3-chloro-2,2-dimethylpropyl)-1-methylimidazo[4,5-c]pyridin-4-amine

C12H17ClN4 — CID 103386457

IUPACN-(3-chloro-2,2-dimethylpropyl)-1-methylimidazo[4,5-c]pyridin-4-amine
SMILESCn1cnc2c(NCC(C)(C)CCl)nccc21
InChIInChI=1S/C12H17ClN4/c1-12(2,6-13)7-15-11-10-9(4-5-14-11)17(3)8-16-10/h4-5,8H,6-7H2,1-3H3,(H,14,15)
InChIKeyXFNRAHPURPTOQI-UHFFFAOYSA-N
MW252.75 g/mol
LogP2.65
Rot. Bonds4

About N-(3-chloro-2,2-dimethylpropyl)-1-methylimidazo[4,5-c]pyridin-4-amine

N-(3-chloro-2,2-dimethylpropyl)-1-methylimidazo[4,5-c]pyridin-4-amine (PubChem CID 103386457) has the molecular formula C12H17ClN4 and a molecular weight of 252.75 g/mol. Its IUPAC name is N-(3-chloro-2,2-dimethylpropyl)-1-methylimidazo[4,5-c]pyridin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-2,2-dimethylpropyl)-1-methylimidazo[4,5-c]pyridin-4-amine
PubChem CID103386457
Molecular FormulaC12H17ClN4
Molecular Weight252.75 g/mol
Exact Mass252.11
IUPAC NameN-(3-chloro-2,2-dimethylpropyl)-1-methylimidazo[4,5-c]pyridin-4-amine
SMILESCn1cnc2c(NCC(C)(C)CCl)nccc21
InChIInChI=1S/C12H17ClN4/c1-12(2,6-13)7-15-11-10-9(4-5-14-11)17(3)8-16-10/h4-5,8H,6-7H2,1-3H3,(H,14,15)
InChIKeyXFNRAHPURPTOQI-UHFFFAOYSA-N
XLogP2.65
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.75
LogP ≤ 52.65
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

1-methyl-N-(2,2,3,3-tetrafluoropropyl)imidazo[4,5-c]pyridin-4-amine
CID 114169666
1-methyl-N-(2-methyl-2-phenylpropyl)imidazo[4,5-c]pyridin-4-amine
CID 103385442
N-(2-chloroprop-2-enyl)-1-methylimidazo[4,5-c]pyridin-4-amine
CID 103385795
1-methyl-N-(2-methylbutan-2-yl)imidazo[4,5-c]pyridin-4-amine
CID 103385802
N-benzyl-1-methylimidazo[4,5-c]pyridin-4-amine
CID 1400630
1-methyl-N-(2-methylbutyl)imidazo[4,5-c]pyridin-4-amine
CID 103385588
4,4-dimethyl-1-[(1-methylimidazo[4,5-c]pyridin-4-yl)amino]pentan-2-ol
CID 107153207
N-[[2-(chloromethyl)cyclohexyl]methyl]-1-methylimidazo[4,5-c]pyridin-4-amine
CID 103386425
N-(cyclopentylmethyl)-1-methylimidazo[4,5-c]pyridin-4-amine
CID 103385392
3-methyl-1-N-(1-methylimidazo[4,5-c]pyridin-4-yl)butane-1,2-diamine
CID 103386011
1-methyl-N-(2-methyl-3-methylsulfanylpropyl)imidazo[4,5-c]pyridin-4-amine
CID 103385628
1-[[(1-methylimidazo[4,5-c]pyridin-4-yl)amino]methyl]cyclopentan-1-ol
CID 103385664

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2,2-dimethylpropyl)-1-methylimidazo[4,5-c]pyridin-4-amine?
The IUPAC name of N-(3-chloro-2,2-dimethylpropyl)-1-methylimidazo[4,5-c]pyridin-4-amine (CID 103386457) is N-(3-chloro-2,2-dimethylpropyl)-1-methylimidazo[4,5-c]pyridin-4-amine.
What is the SMILES notation for N-(3-chloro-2,2-dimethylpropyl)-1-methylimidazo[4,5-c]pyridin-4-amine?
The canonical SMILES for N-(3-chloro-2,2-dimethylpropyl)-1-methylimidazo[4,5-c]pyridin-4-amine is Cn1cnc2c(NCC(C)(C)CCl)nccc21.
What is the InChIKey of N-(3-chloro-2,2-dimethylpropyl)-1-methylimidazo[4,5-c]pyridin-4-amine?
The InChIKey is XFNRAHPURPTOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4/c1-12(2,6-13)7-15-11-10-9(4-5-14-11)17(3)8-16-10/h4-5,8H,6-7H2,1-3H3,(H,14,15).
What are the key properties of N-(3-chloro-2,2-dimethylpropyl)-1-methylimidazo[4,5-c]pyridin-4-amine?
N-(3-chloro-2,2-dimethylpropyl)-1-methylimidazo[4,5-c]pyridin-4-amine has a molecular weight of 252.75 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2,2-dimethylpropyl)-1-methylimidazo[4,5-c]pyridin-4-amine is sourced from PubChem (CID 103386457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).