2-(4-cyclopentylpiperazin-1-yl)-3-ethylpentan-1-amine

C16H33N3 — CID 55063596

IUPAC2-(4-cyclopentylpiperazin-1-yl)-3-ethylpentan-1-amine
SMILESCCC(CC)C(CN)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C16H33N3/c1-3-14(4-2)16(13-17)19-11-9-18(10-12-19)15-7-5-6-8-15/h14-16H,3-13,17H2,1-2H3
InChIKeyXKWSMGIHUOAPKD-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.31
Rot. Bonds6

About 2-(4-cyclopentylpiperazin-1-yl)-3-ethylpentan-1-amine

2-(4-cyclopentylpiperazin-1-yl)-3-ethylpentan-1-amine (PubChem CID 55063596) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 2-(4-cyclopentylpiperazin-1-yl)-3-ethylpentan-1-amine.

Molecular Properties

Compound Name2-(4-cyclopentylpiperazin-1-yl)-3-ethylpentan-1-amine
PubChem CID55063596
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name2-(4-cyclopentylpiperazin-1-yl)-3-ethylpentan-1-amine
SMILESCCC(CC)C(CN)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C16H33N3/c1-3-14(4-2)16(13-17)19-11-9-18(10-12-19)15-7-5-6-8-15/h14-16H,3-13,17H2,1-2H3
InChIKeyXKWSMGIHUOAPKD-UHFFFAOYSA-N
XLogP2.31
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

3-(4-cyclopentylpiperazin-1-yl)heptan-4-amine
CID 62368612
2-(4-cyclopentylpiperazin-1-yl)-4,4-dimethylpentan-1-amine
CID 62950972
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-amine
CID 79940321
2-(4-cyclopentylpiperazin-1-yl)octan-1-amine
CID 62369576
2-(3-ethylpentan-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939262
3-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)butan-1-amine
CID 61217888
4-(4-cyclopentylpiperazin-1-yl)pentan-1-amine
CID 55072549
2-(4-cyclopentylpiperazin-1-yl)butanoic acid
CID 62368953
1,4-dicyclohexyl-7-[1-(4,7-dicyclohexyl-1,4,7-triazonan-1-yl)ethyl]-1,4,7-triazonane
CID 23439594
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-ethylsulfanylbutan-1-amine
CID 116504195
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-methoxy-3-methylbutan-1-amine
CID 116501833
2-(4-cyclopentylpiperazin-1-yl)-N-ethylbutan-1-amine
CID 62446735

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopentylpiperazin-1-yl)-3-ethylpentan-1-amine?
The IUPAC name of 2-(4-cyclopentylpiperazin-1-yl)-3-ethylpentan-1-amine (CID 55063596) is 2-(4-cyclopentylpiperazin-1-yl)-3-ethylpentan-1-amine.
What is the SMILES notation for 2-(4-cyclopentylpiperazin-1-yl)-3-ethylpentan-1-amine?
The canonical SMILES for 2-(4-cyclopentylpiperazin-1-yl)-3-ethylpentan-1-amine is CCC(CC)C(CN)N1CCN(C2CCCC2)CC1.
What is the InChIKey of 2-(4-cyclopentylpiperazin-1-yl)-3-ethylpentan-1-amine?
The InChIKey is XKWSMGIHUOAPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-3-14(4-2)16(13-17)19-11-9-18(10-12-19)15-7-5-6-8-15/h14-16H,3-13,17H2,1-2H3.
What are the key properties of 2-(4-cyclopentylpiperazin-1-yl)-3-ethylpentan-1-amine?
2-(4-cyclopentylpiperazin-1-yl)-3-ethylpentan-1-amine has a molecular weight of 267.46 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopentylpiperazin-1-yl)-3-ethylpentan-1-amine is sourced from PubChem (CID 55063596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).