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

C14H20N4O — CID 103386316

IUPAC2-(1-methylimidazo[4,5-c]pyridin-4-yl)oxycycloheptan-1-amine
SMILESCn1cnc2c(OC3CCCCCC3N)nccc21
InChIInChI=1S/C14H20N4O/c1-18-9-17-13-11(18)7-8-16-14(13)19-12-6-4-2-3-5-10(12)15/h7-10,12H,2-6,15H2,1H3
InChIKeyIAOVHNLBVSIJKV-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.01
Rot. Bonds2

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

2-(1-methylimidazo[4,5-c]pyridin-4-yl)oxycycloheptan-1-amine (PubChem CID 103386316) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-(1-methylimidazo[4,5-c]pyridin-4-yl)oxycycloheptan-1-amine.

Molecular Properties

Compound Name2-(1-methylimidazo[4,5-c]pyridin-4-yl)oxycycloheptan-1-amine
PubChem CID103386316
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name2-(1-methylimidazo[4,5-c]pyridin-4-yl)oxycycloheptan-1-amine
SMILESCn1cnc2c(OC3CCCCCC3N)nccc21
InChIInChI=1S/C14H20N4O/c1-18-9-17-13-11(18)7-8-16-14(13)19-12-6-4-2-3-5-10(12)15/h7-10,12H,2-6,15H2,1H3
InChIKeyIAOVHNLBVSIJKV-UHFFFAOYSA-N
XLogP2.01
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazo[4,5-c]pyridin-4-yl)oxycycloheptan-1-amine?
The IUPAC name of 2-(1-methylimidazo[4,5-c]pyridin-4-yl)oxycycloheptan-1-amine (CID 103386316) is 2-(1-methylimidazo[4,5-c]pyridin-4-yl)oxycycloheptan-1-amine.
What is the SMILES notation for 2-(1-methylimidazo[4,5-c]pyridin-4-yl)oxycycloheptan-1-amine?
The canonical SMILES for 2-(1-methylimidazo[4,5-c]pyridin-4-yl)oxycycloheptan-1-amine is Cn1cnc2c(OC3CCCCCC3N)nccc21.
What is the InChIKey of 2-(1-methylimidazo[4,5-c]pyridin-4-yl)oxycycloheptan-1-amine?
The InChIKey is IAOVHNLBVSIJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-18-9-17-13-11(18)7-8-16-14(13)19-12-6-4-2-3-5-10(12)15/h7-10,12H,2-6,15H2,1H3.
What are the key properties of 2-(1-methylimidazo[4,5-c]pyridin-4-yl)oxycycloheptan-1-amine?
2-(1-methylimidazo[4,5-c]pyridin-4-yl)oxycycloheptan-1-amine has a molecular weight of 260.34 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazo[4,5-c]pyridin-4-yl)oxycycloheptan-1-amine is sourced from PubChem (CID 103386316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).