2-(azepan-1-yl)-5-methylpyridin-3-amine

C12H19N3 — CID 66277973

IUPAC2-(azepan-1-yl)-5-methylpyridin-3-amine
SMILESCc1cnc(N2CCCCCC2)c(N)c1
InChIInChI=1S/C12H19N3/c1-10-8-11(13)12(14-9-10)15-6-4-2-3-5-7-15/h8-9H,2-7,13H2,1H3
InChIKeyFHRQJTQQXGSPEK-UHFFFAOYSA-N
MW205.31 g/mol
LogP2.35
Rot. Bonds1

About 2-(azepan-1-yl)-5-methylpyridin-3-amine

2-(azepan-1-yl)-5-methylpyridin-3-amine (PubChem CID 66277973) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is 2-(azepan-1-yl)-5-methylpyridin-3-amine.

Molecular Properties

Compound Name2-(azepan-1-yl)-5-methylpyridin-3-amine
PubChem CID66277973
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name2-(azepan-1-yl)-5-methylpyridin-3-amine
SMILESCc1cnc(N2CCCCCC2)c(N)c1
InChIInChI=1S/C12H19N3/c1-10-8-11(13)12(14-9-10)15-6-4-2-3-5-7-15/h8-9H,2-7,13H2,1H3
InChIKeyFHRQJTQQXGSPEK-UHFFFAOYSA-N
XLogP2.35
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-5-methylpyridin-3-amine?
The IUPAC name of 2-(azepan-1-yl)-5-methylpyridin-3-amine (CID 66277973) is 2-(azepan-1-yl)-5-methylpyridin-3-amine.
What is the SMILES notation for 2-(azepan-1-yl)-5-methylpyridin-3-amine?
The canonical SMILES for 2-(azepan-1-yl)-5-methylpyridin-3-amine is Cc1cnc(N2CCCCCC2)c(N)c1.
What is the InChIKey of 2-(azepan-1-yl)-5-methylpyridin-3-amine?
The InChIKey is FHRQJTQQXGSPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-10-8-11(13)12(14-9-10)15-6-4-2-3-5-7-15/h8-9H,2-7,13H2,1H3.
What are the key properties of 2-(azepan-1-yl)-5-methylpyridin-3-amine?
2-(azepan-1-yl)-5-methylpyridin-3-amine has a molecular weight of 205.31 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-5-methylpyridin-3-amine is sourced from PubChem (CID 66277973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).