1-(azepan-2-yl)-N-[2-(azepan-1-yl)ethyl]propan-2-amine

C17H35N3 — CID 79560062

IUPAC1-(azepan-2-yl)-N-[2-(azepan-1-yl)ethyl]propan-2-amine
SMILESCC(CC1CCCCCN1)NCCN1CCCCCC1
InChIInChI=1S/C17H35N3/c1-16(15-17-9-5-4-6-10-19-17)18-11-14-20-12-7-2-3-8-13-20/h16-19H,2-15H2,1H3
InChIKeyNSIXCHLMSOZLPS-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.76
Rot. Bonds6

About 1-(azepan-2-yl)-N-[2-(azepan-1-yl)ethyl]propan-2-amine

1-(azepan-2-yl)-N-[2-(azepan-1-yl)ethyl]propan-2-amine (PubChem CID 79560062) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is 1-(azepan-2-yl)-N-[2-(azepan-1-yl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-(azepan-2-yl)-N-[2-(azepan-1-yl)ethyl]propan-2-amine
PubChem CID79560062
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC Name1-(azepan-2-yl)-N-[2-(azepan-1-yl)ethyl]propan-2-amine
SMILESCC(CC1CCCCCN1)NCCN1CCCCCC1
InChIInChI=1S/C17H35N3/c1-16(15-17-9-5-4-6-10-19-17)18-11-14-20-12-7-2-3-8-13-20/h16-19H,2-15H2,1H3
InChIKeyNSIXCHLMSOZLPS-UHFFFAOYSA-N
XLogP2.76
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-piperidin-2-yl-N-(3-pyrrolidin-1-ylpropyl)propan-2-amine
CID 79549233
N-[2-(4-methylpiperazin-1-yl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 79539939
N-(2-morpholin-4-ylethyl)-1-pyrrolidin-2-ylpropan-2-amine
CID 79541011
1-(azepan-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]propan-2-amine
CID 79541130
N-[3-(4-methylpiperazin-1-yl)propyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 79541234
N-(1-piperidin-2-ylpropan-2-yl)but-3-yn-1-amine
CID 79538896
N-[1-(azepan-2-yl)propan-2-yl]-2-methylpropan-1-amine
CID 79553512
N-[1-(azepan-2-yl)propan-2-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 79552895
N-(2-cyclohexylethyl)-1-pyrrolidin-2-ylpropan-2-amine
CID 79541429
2-(1-piperidin-2-ylpropan-2-ylamino)-1-pyrrolidin-1-ylethanone
CID 113405923
1-(azepan-2-yl)-N-(2-methylsulfonylethyl)propan-2-amine
CID 79560223
4-(1-piperidin-2-ylpropan-2-ylamino)butan-1-ol
CID 106840824

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-2-yl)-N-[2-(azepan-1-yl)ethyl]propan-2-amine?
The IUPAC name of 1-(azepan-2-yl)-N-[2-(azepan-1-yl)ethyl]propan-2-amine (CID 79560062) is 1-(azepan-2-yl)-N-[2-(azepan-1-yl)ethyl]propan-2-amine.
What is the SMILES notation for 1-(azepan-2-yl)-N-[2-(azepan-1-yl)ethyl]propan-2-amine?
The canonical SMILES for 1-(azepan-2-yl)-N-[2-(azepan-1-yl)ethyl]propan-2-amine is CC(CC1CCCCCN1)NCCN1CCCCCC1.
What is the InChIKey of 1-(azepan-2-yl)-N-[2-(azepan-1-yl)ethyl]propan-2-amine?
The InChIKey is NSIXCHLMSOZLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-16(15-17-9-5-4-6-10-19-17)18-11-14-20-12-7-2-3-8-13-20/h16-19H,2-15H2,1H3.
What are the key properties of 1-(azepan-2-yl)-N-[2-(azepan-1-yl)ethyl]propan-2-amine?
1-(azepan-2-yl)-N-[2-(azepan-1-yl)ethyl]propan-2-amine has a molecular weight of 281.49 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-2-yl)-N-[2-(azepan-1-yl)ethyl]propan-2-amine is sourced from PubChem (CID 79560062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).