4-(3-methylimidazo[4,5-c]pyridin-2-yl)butan-1-amine

C11H16N4 — CID 18694804

IUPAC4-(3-methylimidazo[4,5-c]pyridin-2-yl)butan-1-amine
SMILESCn1c(CCCCN)nc2ccncc21
InChIInChI=1S/C11H16N4/c1-15-10-8-13-7-5-9(10)14-11(15)4-2-3-6-12/h5,7-8H,2-4,6,12H2,1H3
InChIKeyRBNMANOOGSWREI-UHFFFAOYSA-N
MW204.28 g/mol
LogP1.25
Rot. Bonds4

About 4-(3-methylimidazo[4,5-c]pyridin-2-yl)butan-1-amine

4-(3-methylimidazo[4,5-c]pyridin-2-yl)butan-1-amine (PubChem CID 18694804) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 4-(3-methylimidazo[4,5-c]pyridin-2-yl)butan-1-amine.

Molecular Properties

Compound Name4-(3-methylimidazo[4,5-c]pyridin-2-yl)butan-1-amine
PubChem CID18694804
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name4-(3-methylimidazo[4,5-c]pyridin-2-yl)butan-1-amine
SMILESCn1c(CCCCN)nc2ccncc21
InChIInChI=1S/C11H16N4/c1-15-10-8-13-7-5-9(10)14-11(15)4-2-3-6-12/h5,7-8H,2-4,6,12H2,1H3
InChIKeyRBNMANOOGSWREI-UHFFFAOYSA-N
XLogP1.25
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylimidazo[4,5-c]pyridin-2-yl)butan-1-amine?
The IUPAC name of 4-(3-methylimidazo[4,5-c]pyridin-2-yl)butan-1-amine (CID 18694804) is 4-(3-methylimidazo[4,5-c]pyridin-2-yl)butan-1-amine.
What is the SMILES notation for 4-(3-methylimidazo[4,5-c]pyridin-2-yl)butan-1-amine?
The canonical SMILES for 4-(3-methylimidazo[4,5-c]pyridin-2-yl)butan-1-amine is Cn1c(CCCCN)nc2ccncc21.
What is the InChIKey of 4-(3-methylimidazo[4,5-c]pyridin-2-yl)butan-1-amine?
The InChIKey is RBNMANOOGSWREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1-15-10-8-13-7-5-9(10)14-11(15)4-2-3-6-12/h5,7-8H,2-4,6,12H2,1H3.
What are the key properties of 4-(3-methylimidazo[4,5-c]pyridin-2-yl)butan-1-amine?
4-(3-methylimidazo[4,5-c]pyridin-2-yl)butan-1-amine has a molecular weight of 204.28 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylimidazo[4,5-c]pyridin-2-yl)butan-1-amine is sourced from PubChem (CID 18694804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).