2-(azepan-1-yl)-1-(1-propan-2-ylpiperidin-4-yl)ethanamine

C16H33N3 — CID 117238624

IUPAC2-(azepan-1-yl)-1-(1-propan-2-ylpiperidin-4-yl)ethanamine
SMILESCC(C)N1CCC(C(N)CN2CCCCCC2)CC1
InChIInChI=1S/C16H33N3/c1-14(2)19-11-7-15(8-12-19)16(17)13-18-9-5-3-4-6-10-18/h14-16H,3-13,17H2,1-2H3
InChIKeyOSJDFRPAVKKDGL-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.31
Rot. Bonds4

About 2-(azepan-1-yl)-1-(1-propan-2-ylpiperidin-4-yl)ethanamine

2-(azepan-1-yl)-1-(1-propan-2-ylpiperidin-4-yl)ethanamine (PubChem CID 117238624) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 2-(azepan-1-yl)-1-(1-propan-2-ylpiperidin-4-yl)ethanamine.

Molecular Properties

Compound Name2-(azepan-1-yl)-1-(1-propan-2-ylpiperidin-4-yl)ethanamine
PubChem CID117238624
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name2-(azepan-1-yl)-1-(1-propan-2-ylpiperidin-4-yl)ethanamine
SMILESCC(C)N1CCC(C(N)CN2CCCCCC2)CC1
InChIInChI=1S/C16H33N3/c1-14(2)19-11-7-15(8-12-19)16(17)13-18-9-5-3-4-6-10-18/h14-16H,3-13,17H2,1-2H3
InChIKeyOSJDFRPAVKKDGL-UHFFFAOYSA-N
XLogP2.31
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-2-(4-propan-2-ylpiperazin-1-yl)ethanamine
CID 113448062
2-(azepan-1-yl)-1-(1-methylpiperidin-4-yl)ethanamine
CID 117238621
1-cyclopentyl-2-piperidin-1-ylethanamine
CID 82399234
2-(1-propan-2-ylpiperidin-4-yl)-3-pyrrolidin-1-ylpropan-1-amine
CID 117239088
3-(azepan-1-yl)-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-amine
CID 117237666
1-cyclohexyl-2-(4-ethylpiperazin-1-yl)ethanamine
CID 104744254
2-(azepan-1-yl)-1-(thian-4-yl)ethanamine
CID 117238618
2-piperazin-1-yl-1-(1-propan-2-ylpyrrolidin-3-yl)ethanamine
CID 117237209
3-(azepan-1-yl)-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-ol
CID 117237668
methane;1-(1-propan-2-ylpiperidin-4-yl)ethanamine
CID 158419714
propan-2-amine;1-propan-2-ylpiperidine
CID 142245197
1,4-di(propan-2-yl)piperidine
CID 21303253

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-1-(1-propan-2-ylpiperidin-4-yl)ethanamine?
The IUPAC name of 2-(azepan-1-yl)-1-(1-propan-2-ylpiperidin-4-yl)ethanamine (CID 117238624) is 2-(azepan-1-yl)-1-(1-propan-2-ylpiperidin-4-yl)ethanamine.
What is the SMILES notation for 2-(azepan-1-yl)-1-(1-propan-2-ylpiperidin-4-yl)ethanamine?
The canonical SMILES for 2-(azepan-1-yl)-1-(1-propan-2-ylpiperidin-4-yl)ethanamine is CC(C)N1CCC(C(N)CN2CCCCCC2)CC1.
What is the InChIKey of 2-(azepan-1-yl)-1-(1-propan-2-ylpiperidin-4-yl)ethanamine?
The InChIKey is OSJDFRPAVKKDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-14(2)19-11-7-15(8-12-19)16(17)13-18-9-5-3-4-6-10-18/h14-16H,3-13,17H2,1-2H3.
What are the key properties of 2-(azepan-1-yl)-1-(1-propan-2-ylpiperidin-4-yl)ethanamine?
2-(azepan-1-yl)-1-(1-propan-2-ylpiperidin-4-yl)ethanamine has a molecular weight of 267.46 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-1-(1-propan-2-ylpiperidin-4-yl)ethanamine is sourced from PubChem (CID 117238624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).