1-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)cyclohexan-1-amine

C13H18N4 — CID 64671633

IUPAC1-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)cyclohexan-1-amine
SMILESNC1(Cc2nc3ncccc3[nH]2)CCCCC1
InChIInChI=1S/C13H18N4/c14-13(6-2-1-3-7-13)9-11-16-10-5-4-8-15-12(10)17-11/h4-5,8H,1-3,6-7,9,14H2,(H,15,16,17)
InChIKeyZZUKGQJESBWNGV-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.16
Rot. Bonds2

About 1-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)cyclohexan-1-amine

1-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)cyclohexan-1-amine (PubChem CID 64671633) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)cyclohexan-1-amine
PubChem CID64671633
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name1-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)cyclohexan-1-amine
SMILESNC1(Cc2nc3ncccc3[nH]2)CCCCC1
InChIInChI=1S/C13H18N4/c14-13(6-2-1-3-7-13)9-11-16-10-5-4-8-15-12(10)17-11/h4-5,8H,1-3,6-7,9,14H2,(H,15,16,17)
InChIKeyZZUKGQJESBWNGV-UHFFFAOYSA-N
XLogP2.16
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 1-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)cyclohexan-1-amine (CID 64671633) is 1-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)cyclohexan-1-amine is NC1(Cc2nc3ncccc3[nH]2)CCCCC1.
What is the InChIKey of 1-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)cyclohexan-1-amine?
The InChIKey is ZZUKGQJESBWNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c14-13(6-2-1-3-7-13)9-11-16-10-5-4-8-15-12(10)17-11/h4-5,8H,1-3,6-7,9,14H2,(H,15,16,17).
What are the key properties of 1-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)cyclohexan-1-amine?
1-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)cyclohexan-1-amine has a molecular weight of 230.31 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazo[4,5-b]pyridin-2-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 64671633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).