N-(1H-imidazo[4,5-b]pyridin-7-ylmethyl)cyclohexanamine

C13H18N4 — CID 112582757

IUPACN-(1H-imidazo[4,5-b]pyridin-7-ylmethyl)cyclohexanamine
SMILESc1cc(CNC2CCCCC2)c2[nH]cnc2n1
InChIInChI=1S/C13H18N4/c1-2-4-11(5-3-1)15-8-10-6-7-14-13-12(10)16-9-17-13/h6-7,9,11,15H,1-5,8H2,(H,14,16,17)
InChIKeyBYKFVUQPTWGJGC-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.38
Rot. Bonds3

About N-(1H-imidazo[4,5-b]pyridin-7-ylmethyl)cyclohexanamine

N-(1H-imidazo[4,5-b]pyridin-7-ylmethyl)cyclohexanamine (PubChem CID 112582757) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is N-(1H-imidazo[4,5-b]pyridin-7-ylmethyl)cyclohexanamine.

Molecular Properties

Compound NameN-(1H-imidazo[4,5-b]pyridin-7-ylmethyl)cyclohexanamine
PubChem CID112582757
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC NameN-(1H-imidazo[4,5-b]pyridin-7-ylmethyl)cyclohexanamine
SMILESc1cc(CNC2CCCCC2)c2[nH]cnc2n1
InChIInChI=1S/C13H18N4/c1-2-4-11(5-3-1)15-8-10-6-7-14-13-12(10)16-9-17-13/h6-7,9,11,15H,1-5,8H2,(H,14,16,17)
InChIKeyBYKFVUQPTWGJGC-UHFFFAOYSA-N
XLogP2.38
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(quinolin-4-ylmethyl)cyclohexanamine
CID 62337129
N-cycloheptyl-N'-(7H-purin-6-yl)ethane-1,2-diamine
CID 78990142
2-(1H-imidazo[4,5-b]pyridin-7-yl)ethanamine
CID 84651366
2-(1H-imidazo[4,5-b]pyridin-7-yl)acetonitrile
CID 84763973
N'-ethyl-N-(1H-imidazo[4,5-b]pyridin-7-ylmethyl)-N'-methylethane-1,2-diamine
CID 114135100
N-(pyridin-4-ylmethyl)cyclooctanamine
CID 4722994
N-[(2-pyrazol-1-ylphenyl)methyl]cyclooctanamine
CID 61168084
N-(quinoxalin-5-ylmethyl)cycloheptanamine
CID 104614220
N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]cyclohexanamine
CID 167824693
N-[(4-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)methyl]cyclohexanamine
CID 170422562
2-chloro-N-cyclooctyl-7H-purin-6-amine
CID 11587232
N-[(2-methylpyrimidin-4-yl)methyl]cyclohexanamine
CID 60962032

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazo[4,5-b]pyridin-7-ylmethyl)cyclohexanamine?
The IUPAC name of N-(1H-imidazo[4,5-b]pyridin-7-ylmethyl)cyclohexanamine (CID 112582757) is N-(1H-imidazo[4,5-b]pyridin-7-ylmethyl)cyclohexanamine.
What is the SMILES notation for N-(1H-imidazo[4,5-b]pyridin-7-ylmethyl)cyclohexanamine?
The canonical SMILES for N-(1H-imidazo[4,5-b]pyridin-7-ylmethyl)cyclohexanamine is c1cc(CNC2CCCCC2)c2[nH]cnc2n1.
What is the InChIKey of N-(1H-imidazo[4,5-b]pyridin-7-ylmethyl)cyclohexanamine?
The InChIKey is BYKFVUQPTWGJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-2-4-11(5-3-1)15-8-10-6-7-14-13-12(10)16-9-17-13/h6-7,9,11,15H,1-5,8H2,(H,14,16,17).
What are the key properties of N-(1H-imidazo[4,5-b]pyridin-7-ylmethyl)cyclohexanamine?
N-(1H-imidazo[4,5-b]pyridin-7-ylmethyl)cyclohexanamine has a molecular weight of 230.31 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazo[4,5-b]pyridin-7-ylmethyl)cyclohexanamine is sourced from PubChem (CID 112582757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).