2-(4-cyclopentylpiperazin-1-yl)-N-ethylbutan-1-amine

C15H31N3 — CID 62446735

IUPAC2-(4-cyclopentylpiperazin-1-yl)-N-ethylbutan-1-amine
SMILESCCNCC(CC)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C15H31N3/c1-3-14(13-16-4-2)17-9-11-18(12-10-17)15-7-5-6-8-15/h14-16H,3-13H2,1-2H3
InChIKeyPVDHZBMCXXVYDL-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.93
Rot. Bonds6

About 2-(4-cyclopentylpiperazin-1-yl)-N-ethylbutan-1-amine

2-(4-cyclopentylpiperazin-1-yl)-N-ethylbutan-1-amine (PubChem CID 62446735) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is 2-(4-cyclopentylpiperazin-1-yl)-N-ethylbutan-1-amine.

Molecular Properties

Compound Name2-(4-cyclopentylpiperazin-1-yl)-N-ethylbutan-1-amine
PubChem CID62446735
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name2-(4-cyclopentylpiperazin-1-yl)-N-ethylbutan-1-amine
SMILESCCNCC(CC)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C15H31N3/c1-3-14(13-16-4-2)17-9-11-18(12-10-17)15-7-5-6-8-15/h14-16H,3-13H2,1-2H3
InChIKeyPVDHZBMCXXVYDL-UHFFFAOYSA-N
XLogP1.93
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopentylpiperazin-1-yl)-N-ethylbutan-1-amine?
The IUPAC name of 2-(4-cyclopentylpiperazin-1-yl)-N-ethylbutan-1-amine (CID 62446735) is 2-(4-cyclopentylpiperazin-1-yl)-N-ethylbutan-1-amine.
What is the SMILES notation for 2-(4-cyclopentylpiperazin-1-yl)-N-ethylbutan-1-amine?
The canonical SMILES for 2-(4-cyclopentylpiperazin-1-yl)-N-ethylbutan-1-amine is CCNCC(CC)N1CCN(C2CCCC2)CC1.
What is the InChIKey of 2-(4-cyclopentylpiperazin-1-yl)-N-ethylbutan-1-amine?
The InChIKey is PVDHZBMCXXVYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-3-14(13-16-4-2)17-9-11-18(12-10-17)15-7-5-6-8-15/h14-16H,3-13H2,1-2H3.
What are the key properties of 2-(4-cyclopentylpiperazin-1-yl)-N-ethylbutan-1-amine?
2-(4-cyclopentylpiperazin-1-yl)-N-ethylbutan-1-amine has a molecular weight of 253.43 g/mol, XLogP of 1.93, 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)-N-ethylbutan-1-amine is sourced from PubChem (CID 62446735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).