4-(azepan-1-ylmethyl)pyridin-3-amine

C12H19N3 — CID 117212629

IUPAC4-(azepan-1-ylmethyl)pyridin-3-amine
SMILESNc1cnccc1CN1CCCCCC1
InChIInChI=1S/C12H19N3/c13-12-9-14-6-5-11(12)10-15-7-3-1-2-4-8-15/h5-6,9H,1-4,7-8,10,13H2
InChIKeyKCKOGAPRBWVTHU-UHFFFAOYSA-N
MW205.31 g/mol
LogP2.04
Rot. Bonds2

About 4-(azepan-1-ylmethyl)pyridin-3-amine

4-(azepan-1-ylmethyl)pyridin-3-amine (PubChem CID 117212629) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is 4-(azepan-1-ylmethyl)pyridin-3-amine.

Molecular Properties

Compound Name4-(azepan-1-ylmethyl)pyridin-3-amine
PubChem CID117212629
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name4-(azepan-1-ylmethyl)pyridin-3-amine
SMILESNc1cnccc1CN1CCCCCC1
InChIInChI=1S/C12H19N3/c13-12-9-14-6-5-11(12)10-15-7-3-1-2-4-8-15/h5-6,9H,1-4,7-8,10,13H2
InChIKeyKCKOGAPRBWVTHU-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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Related Compounds

4-(2-piperidin-1-ylethoxy)pyridin-3-amine
CID 61102870
4-methoxy-3-(pyrrolidin-1-ylmethyl)pyridine
CID 130559478
4-[[(1-benzylpiperidin-4-yl)amino]methyl]pyridin-3-amine
CID 18321349
3-(piperidin-1-ylmethyl)pyridin-2-amine
CID 18771814
5-(piperidin-1-ylmethyl)-8-propan-2-ylisoquinoline
CID 170587214
4-(pyrrolidin-1-ylmethyl)benzene-1,3-diamine;hydrochloride
CID 22328120
4-piperidin-1-ylpyridin-3-amine;dihydrochloride
CID 86277783
2,4,6-tris(piperidin-1-ylmethyl)benzene-1,3-diamine
CID 139658951
3-(pyrrolidin-1-ylmethyl)pyridin-2-amine
CID 62470567
[1-[(3-amino-4-pyridinyl)methyl]piperidin-4-yl]-[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]methanone
CID 23394192
4-(2-aminoethyl)pyridin-3-amine
CID 55254309
3-aminopyridine-4-carbaldehyde;ethyl 1-[(3-amino-4-pyridinyl)methyl]piperidine-4-carboxylate;ethyl piperidine-4-carboxylate
CID 159438308

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-ylmethyl)pyridin-3-amine?
The IUPAC name of 4-(azepan-1-ylmethyl)pyridin-3-amine (CID 117212629) is 4-(azepan-1-ylmethyl)pyridin-3-amine.
What is the SMILES notation for 4-(azepan-1-ylmethyl)pyridin-3-amine?
The canonical SMILES for 4-(azepan-1-ylmethyl)pyridin-3-amine is Nc1cnccc1CN1CCCCCC1.
What is the InChIKey of 4-(azepan-1-ylmethyl)pyridin-3-amine?
The InChIKey is KCKOGAPRBWVTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c13-12-9-14-6-5-11(12)10-15-7-3-1-2-4-8-15/h5-6,9H,1-4,7-8,10,13H2.
What are the key properties of 4-(azepan-1-ylmethyl)pyridin-3-amine?
4-(azepan-1-ylmethyl)pyridin-3-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 4-(azepan-1-ylmethyl)pyridin-3-amine is sourced from PubChem (CID 117212629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).