2-(azepan-1-ylmethyl)pyridin-4-amine

C12H19N3 — CID 79244961

IUPAC2-(azepan-1-ylmethyl)pyridin-4-amine
SMILESNc1ccnc(CN2CCCCCC2)c1
InChIInChI=1S/C12H19N3/c13-11-5-6-14-12(9-11)10-15-7-3-1-2-4-8-15/h5-6,9H,1-4,7-8,10H2,(H2,13,14)
InChIKeyFWMJXNUOIGATPZ-UHFFFAOYSA-N
MW205.31 g/mol
LogP2.04
Rot. Bonds2

About 2-(azepan-1-ylmethyl)pyridin-4-amine

2-(azepan-1-ylmethyl)pyridin-4-amine (PubChem CID 79244961) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is 2-(azepan-1-ylmethyl)pyridin-4-amine.

Molecular Properties

Compound Name2-(azepan-1-ylmethyl)pyridin-4-amine
PubChem CID79244961
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name2-(azepan-1-ylmethyl)pyridin-4-amine
SMILESNc1ccnc(CN2CCCCCC2)c1
InChIInChI=1S/C12H19N3/c13-11-5-6-14-12(9-11)10-15-7-3-1-2-4-8-15/h5-6,9H,1-4,7-8,10H2,(H2,13,14)
InChIKeyFWMJXNUOIGATPZ-UHFFFAOYSA-N
XLogP2.04
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-ylmethyl)pyridin-4-amine?
The IUPAC name of 2-(azepan-1-ylmethyl)pyridin-4-amine (CID 79244961) is 2-(azepan-1-ylmethyl)pyridin-4-amine.
What is the SMILES notation for 2-(azepan-1-ylmethyl)pyridin-4-amine?
The canonical SMILES for 2-(azepan-1-ylmethyl)pyridin-4-amine is Nc1ccnc(CN2CCCCCC2)c1.
What is the InChIKey of 2-(azepan-1-ylmethyl)pyridin-4-amine?
The InChIKey is FWMJXNUOIGATPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c13-11-5-6-14-12(9-11)10-15-7-3-1-2-4-8-15/h5-6,9H,1-4,7-8,10H2,(H2,13,14).
What are the key properties of 2-(azepan-1-ylmethyl)pyridin-4-amine?
2-(azepan-1-ylmethyl)pyridin-4-amine has a molecular weight of 205.31 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-ylmethyl)pyridin-4-amine is sourced from PubChem (CID 79244961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).