2-(4-cyclopentylpiperazin-1-yl)-2-ethyl-4-methylhexan-1-amine

C18H37N3 — CID 62368087

IUPAC2-(4-cyclopentylpiperazin-1-yl)-2-ethyl-4-methylhexan-1-amine
SMILESCCC(C)CC(CC)(CN)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C18H37N3/c1-4-16(3)14-18(5-2,15-19)21-12-10-20(11-13-21)17-8-6-7-9-17/h16-17H,4-15,19H2,1-3H3
InChIKeyKRYTYKXJLXYPAG-UHFFFAOYSA-N
MW295.51 g/mol
LogP3.09
Rot. Bonds7

About 2-(4-cyclopentylpiperazin-1-yl)-2-ethyl-4-methylhexan-1-amine

2-(4-cyclopentylpiperazin-1-yl)-2-ethyl-4-methylhexan-1-amine (PubChem CID 62368087) has the molecular formula C18H37N3 and a molecular weight of 295.51 g/mol. Its IUPAC name is 2-(4-cyclopentylpiperazin-1-yl)-2-ethyl-4-methylhexan-1-amine.

Molecular Properties

Compound Name2-(4-cyclopentylpiperazin-1-yl)-2-ethyl-4-methylhexan-1-amine
PubChem CID62368087
Molecular FormulaC18H37N3
Molecular Weight295.51 g/mol
Exact Mass295.30
IUPAC Name2-(4-cyclopentylpiperazin-1-yl)-2-ethyl-4-methylhexan-1-amine
SMILESCCC(C)CC(CC)(CN)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C18H37N3/c1-4-16(3)14-18(5-2,15-19)21-12-10-20(11-13-21)17-8-6-7-9-17/h16-17H,4-15,19H2,1-3H3
InChIKeyKRYTYKXJLXYPAG-UHFFFAOYSA-N
XLogP3.09
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-4-methyl-2-(4-methylazepan-1-yl)hexan-1-amine
CID 55248237
2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-ethyl-4-methylhexan-1-amine
CID 62886088
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-ethylbutan-1-amine
CID 79937927
2-(4-cyclohexylpiperazin-1-yl)-2-methylpropan-1-amine
CID 63343501
2-ethyl-4-methyl-2-(3-methylmorpholin-4-yl)hexan-1-amine
CID 43541962
3-(4-cyclopentylpiperazin-1-yl)-2,2-dimethylpropan-1-amine
CID 62369809
2-(4-cyclopentylpiperazin-1-yl)-3-ethylpentan-1-amine
CID 55063596
2-(2,5-dimethylmorpholin-4-yl)-2-ethyl-4-methylhexan-1-amine
CID 43544414
2-(4-cyclopentylpiperazin-1-yl)-4,4-dimethylpentan-1-amine
CID 62950972
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-ethyl-2-methylpropan-1-amine
CID 79943578
1-cyclopentyl-N-(2-methylbutyl)pyrrolidin-3-amine
CID 115887460
ethyl 2-(4-cyclopentylpiperazin-1-yl)propanoate
CID 55063212

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopentylpiperazin-1-yl)-2-ethyl-4-methylhexan-1-amine?
The IUPAC name of 2-(4-cyclopentylpiperazin-1-yl)-2-ethyl-4-methylhexan-1-amine (CID 62368087) is 2-(4-cyclopentylpiperazin-1-yl)-2-ethyl-4-methylhexan-1-amine.
What is the SMILES notation for 2-(4-cyclopentylpiperazin-1-yl)-2-ethyl-4-methylhexan-1-amine?
The canonical SMILES for 2-(4-cyclopentylpiperazin-1-yl)-2-ethyl-4-methylhexan-1-amine is CCC(C)CC(CC)(CN)N1CCN(C2CCCC2)CC1.
What is the InChIKey of 2-(4-cyclopentylpiperazin-1-yl)-2-ethyl-4-methylhexan-1-amine?
The InChIKey is KRYTYKXJLXYPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3/c1-4-16(3)14-18(5-2,15-19)21-12-10-20(11-13-21)17-8-6-7-9-17/h16-17H,4-15,19H2,1-3H3.
What are the key properties of 2-(4-cyclopentylpiperazin-1-yl)-2-ethyl-4-methylhexan-1-amine?
2-(4-cyclopentylpiperazin-1-yl)-2-ethyl-4-methylhexan-1-amine has a molecular weight of 295.51 g/mol, XLogP of 3.09, 7 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)-2-ethyl-4-methylhexan-1-amine is sourced from PubChem (CID 62368087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).