2-(azepan-1-ylmethyl)-N-methylpyridin-4-amine

C13H21N3 — CID 79245088

IUPAC2-(azepan-1-ylmethyl)-N-methylpyridin-4-amine
SMILESCNc1ccnc(CN2CCCCCC2)c1
InChIInChI=1S/C13H21N3/c1-14-12-6-7-15-13(10-12)11-16-8-4-2-3-5-9-16/h6-7,10H,2-5,8-9,11H2,1H3,(H,14,15)
InChIKeyCUTXIPQCXNFJJN-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.50
Rot. Bonds3

About 2-(azepan-1-ylmethyl)-N-methylpyridin-4-amine

2-(azepan-1-ylmethyl)-N-methylpyridin-4-amine (PubChem CID 79245088) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-(azepan-1-ylmethyl)-N-methylpyridin-4-amine.

Molecular Properties

Compound Name2-(azepan-1-ylmethyl)-N-methylpyridin-4-amine
PubChem CID79245088
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name2-(azepan-1-ylmethyl)-N-methylpyridin-4-amine
SMILESCNc1ccnc(CN2CCCCCC2)c1
InChIInChI=1S/C13H21N3/c1-14-12-6-7-15-13(10-12)11-16-8-4-2-3-5-9-16/h6-7,10H,2-5,8-9,11H2,1H3,(H,14,15)
InChIKeyCUTXIPQCXNFJJN-UHFFFAOYSA-N
XLogP2.50
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.50
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)-N-methylpyridin-4-amine?
The IUPAC name of 2-(azepan-1-ylmethyl)-N-methylpyridin-4-amine (CID 79245088) is 2-(azepan-1-ylmethyl)-N-methylpyridin-4-amine.
What is the SMILES notation for 2-(azepan-1-ylmethyl)-N-methylpyridin-4-amine?
The canonical SMILES for 2-(azepan-1-ylmethyl)-N-methylpyridin-4-amine is CNc1ccnc(CN2CCCCCC2)c1.
What is the InChIKey of 2-(azepan-1-ylmethyl)-N-methylpyridin-4-amine?
The InChIKey is CUTXIPQCXNFJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-14-12-6-7-15-13(10-12)11-16-8-4-2-3-5-9-16/h6-7,10H,2-5,8-9,11H2,1H3,(H,14,15).
What are the key properties of 2-(azepan-1-ylmethyl)-N-methylpyridin-4-amine?
2-(azepan-1-ylmethyl)-N-methylpyridin-4-amine has a molecular weight of 219.33 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-ylmethyl)-N-methylpyridin-4-amine is sourced from PubChem (CID 79245088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).