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

C15H31N3 — CID 62448794

IUPAC4-(4-cyclopentylpiperazin-1-yl)-N-ethylbutan-1-amine
SMILESCCNCCCCN1CCN(C2CCCC2)CC1
InChIInChI=1S/C15H31N3/c1-2-16-9-5-6-10-17-11-13-18(14-12-17)15-7-3-4-8-15/h15-16H,2-14H2,1H3
InChIKeyKNCTXTJMYQQIQB-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.94
Rot. Bonds7

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

4-(4-cyclopentylpiperazin-1-yl)-N-ethylbutan-1-amine (PubChem CID 62448794) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is 4-(4-cyclopentylpiperazin-1-yl)-N-ethylbutan-1-amine.

Molecular Properties

Compound Name4-(4-cyclopentylpiperazin-1-yl)-N-ethylbutan-1-amine
PubChem CID62448794
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name4-(4-cyclopentylpiperazin-1-yl)-N-ethylbutan-1-amine
SMILESCCNCCCCN1CCN(C2CCCC2)CC1
InChIInChI=1S/C15H31N3/c1-2-16-9-5-6-10-17-11-13-18(14-12-17)15-7-3-4-8-15/h15-16H,2-14H2,1H3
InChIKeyKNCTXTJMYQQIQB-UHFFFAOYSA-N
XLogP1.94
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(4-cyclopentylpiperazin-1-yl)-N-ethylpentan-1-amine
CID 62446737
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-ethylpropan-1-amine
CID 79931937
N-ethyl-4-(4-propylpiperazin-1-yl)butan-1-amine
CID 62424325
N-[2-(4-cyclopentylpiperazin-1-yl)ethyl]propan-1-amine
CID 62369763
N-ethyl-3-pyrrolidin-1-ylpropan-1-amine
CID 23440046
3-[4-(cyclopropylmethyl)piperazin-1-yl]-N-ethylpropan-1-amine
CID 61445469
N-ethyl-4-(3-methylpiperidin-1-yl)butan-1-amine
CID 62437965
6-(4-cyclopentylpiperazin-1-yl)-N-methylhexan-3-amine
CID 106799730
3-(4-cyclohexylpiperazin-1-yl)propan-1-amine
CID 12043292
4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-methylbutan-1-amine
CID 79943415
4-(3-azaspiro[5.5]undecan-3-yl)-N-ethylbutan-1-amine
CID 62931160
1-[4-[5-(ethylamino)pentyl]piperazin-1-yl]propan-2-one
CID 66599183

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopentylpiperazin-1-yl)-N-ethylbutan-1-amine?
The IUPAC name of 4-(4-cyclopentylpiperazin-1-yl)-N-ethylbutan-1-amine (CID 62448794) is 4-(4-cyclopentylpiperazin-1-yl)-N-ethylbutan-1-amine.
What is the SMILES notation for 4-(4-cyclopentylpiperazin-1-yl)-N-ethylbutan-1-amine?
The canonical SMILES for 4-(4-cyclopentylpiperazin-1-yl)-N-ethylbutan-1-amine is CCNCCCCN1CCN(C2CCCC2)CC1.
What is the InChIKey of 4-(4-cyclopentylpiperazin-1-yl)-N-ethylbutan-1-amine?
The InChIKey is KNCTXTJMYQQIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-2-16-9-5-6-10-17-11-13-18(14-12-17)15-7-3-4-8-15/h15-16H,2-14H2,1H3.
What are the key properties of 4-(4-cyclopentylpiperazin-1-yl)-N-ethylbutan-1-amine?
4-(4-cyclopentylpiperazin-1-yl)-N-ethylbutan-1-amine has a molecular weight of 253.43 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopentylpiperazin-1-yl)-N-ethylbutan-1-amine is sourced from PubChem (CID 62448794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).