2-[(4-cyclopentylpiperazin-1-yl)methyl]-N-ethyl-2-methylpentan-1-amine

C18H37N3 — CID 62369813

IUPAC2-[(4-cyclopentylpiperazin-1-yl)methyl]-N-ethyl-2-methylpentan-1-amine
SMILESCCCC(C)(CNCC)CN1CCN(C2CCCC2)CC1
InChIInChI=1S/C18H37N3/c1-4-10-18(3,15-19-5-2)16-20-11-13-21(14-12-20)17-8-6-7-9-17/h17,19H,4-16H2,1-3H3
InChIKeyITINLJAFOQLUOT-UHFFFAOYSA-N
MW295.51 g/mol
LogP2.96
Rot. Bonds8

About 2-[(4-cyclopentylpiperazin-1-yl)methyl]-N-ethyl-2-methylpentan-1-amine

2-[(4-cyclopentylpiperazin-1-yl)methyl]-N-ethyl-2-methylpentan-1-amine (PubChem CID 62369813) has the molecular formula C18H37N3 and a molecular weight of 295.51 g/mol. Its IUPAC name is 2-[(4-cyclopentylpiperazin-1-yl)methyl]-N-ethyl-2-methylpentan-1-amine.

Molecular Properties

Compound Name2-[(4-cyclopentylpiperazin-1-yl)methyl]-N-ethyl-2-methylpentan-1-amine
PubChem CID62369813
Molecular FormulaC18H37N3
Molecular Weight295.51 g/mol
Exact Mass295.30
IUPAC Name2-[(4-cyclopentylpiperazin-1-yl)methyl]-N-ethyl-2-methylpentan-1-amine
SMILESCCCC(C)(CNCC)CN1CCN(C2CCCC2)CC1
InChIInChI=1S/C18H37N3/c1-4-10-18(3,15-19-5-2)16-20-11-13-21(14-12-20)17-8-6-7-9-17/h17,19H,4-16H2,1-3H3
InChIKeyITINLJAFOQLUOT-UHFFFAOYSA-N
XLogP2.96
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-cyclopropylpiperazin-1-yl)methyl]-2-methylpentan-1-ol
CID 62266189
1-[2-(ethylaminomethyl)-2-methylpentyl]-4-methylpiperidin-4-ol
CID 81116201
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-2-methyl-N-propan-2-ylpentan-1-amine
CID 79945461
N-ethyl-2-methyl-2-(1,4-oxazepan-4-ylmethyl)pentan-1-amine
CID 62973356
2-[(4-cyclopropylpiperazin-1-yl)methyl]-N,2-diethylbutan-1-amine
CID 55056218
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylmethyl)-N,2-dimethylpentan-1-amine
CID 63151603
2-[(2,3-dimethylpiperidin-1-yl)methyl]-N-ethyl-2-methylpentan-1-amine
CID 62256342
2-(cyclopentylmethyl)-N-ethyl-2-methylpentan-1-amine
CID 63507341
2-[(4-cyclopropylpiperazin-1-yl)methyl]-2-methyl-N-propan-2-ylbutan-1-amine
CID 62270790
N-[2-(4-cyclopentylpiperazin-1-yl)ethyl]propan-1-amine
CID 62369763
2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-N-ethyl-2-methylbutan-1-amine
CID 62271722
N-[2-(azocan-1-ylmethyl)-2-methylpentyl]cyclopropanamine
CID 62261563

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclopentylpiperazin-1-yl)methyl]-N-ethyl-2-methylpentan-1-amine?
The IUPAC name of 2-[(4-cyclopentylpiperazin-1-yl)methyl]-N-ethyl-2-methylpentan-1-amine (CID 62369813) is 2-[(4-cyclopentylpiperazin-1-yl)methyl]-N-ethyl-2-methylpentan-1-amine.
What is the SMILES notation for 2-[(4-cyclopentylpiperazin-1-yl)methyl]-N-ethyl-2-methylpentan-1-amine?
The canonical SMILES for 2-[(4-cyclopentylpiperazin-1-yl)methyl]-N-ethyl-2-methylpentan-1-amine is CCCC(C)(CNCC)CN1CCN(C2CCCC2)CC1.
What is the InChIKey of 2-[(4-cyclopentylpiperazin-1-yl)methyl]-N-ethyl-2-methylpentan-1-amine?
The InChIKey is ITINLJAFOQLUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3/c1-4-10-18(3,15-19-5-2)16-20-11-13-21(14-12-20)17-8-6-7-9-17/h17,19H,4-16H2,1-3H3.
What are the key properties of 2-[(4-cyclopentylpiperazin-1-yl)methyl]-N-ethyl-2-methylpentan-1-amine?
2-[(4-cyclopentylpiperazin-1-yl)methyl]-N-ethyl-2-methylpentan-1-amine has a molecular weight of 295.51 g/mol, XLogP of 2.96, 8 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)methyl]-N-ethyl-2-methylpentan-1-amine is sourced from PubChem (CID 62369813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).