3-ethyl-N-[3-(4-methylpiperazin-1-yl)propyl]cyclopentan-1-amine

C15H31N3 — CID 64502067

IUPAC3-ethyl-N-[3-(4-methylpiperazin-1-yl)propyl]cyclopentan-1-amine
SMILESCCC1CCC(NCCCN2CCN(C)CC2)C1
InChIInChI=1S/C15H31N3/c1-3-14-5-6-15(13-14)16-7-4-8-18-11-9-17(2)10-12-18/h14-16H,3-13H2,1-2H3
InChIKeyJSOJVBDSWYBENK-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.79
Rot. Bonds6

About 3-ethyl-N-[3-(4-methylpiperazin-1-yl)propyl]cyclopentan-1-amine

3-ethyl-N-[3-(4-methylpiperazin-1-yl)propyl]cyclopentan-1-amine (PubChem CID 64502067) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is 3-ethyl-N-[3-(4-methylpiperazin-1-yl)propyl]cyclopentan-1-amine.

Molecular Properties

Compound Name3-ethyl-N-[3-(4-methylpiperazin-1-yl)propyl]cyclopentan-1-amine
PubChem CID64502067
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name3-ethyl-N-[3-(4-methylpiperazin-1-yl)propyl]cyclopentan-1-amine
SMILESCCC1CCC(NCCCN2CCN(C)CC2)C1
InChIInChI=1S/C15H31N3/c1-3-14-5-6-15(13-14)16-7-4-8-18-11-9-17(2)10-12-18/h14-16H,3-13H2,1-2H3
InChIKeyJSOJVBDSWYBENK-UHFFFAOYSA-N
XLogP1.79
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 ≤ 51.79
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

N-[3-(4-methylpiperazin-1-yl)propyl]-4-propylcyclohexan-1-amine
CID 28656952
4-ethyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexan-1-amine
CID 28657772
3-ethyl-N-(2-piperidin-1-ylethyl)cyclopentan-1-amine
CID 64500277
N-[4-(4-ethylpiperidin-1-yl)butyl]cyclopropanamine
CID 62412900
N-[3-(4-ethylpiperidin-1-yl)propyl]cyclopentanamine
CID 55087537
N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]cyclopentanamine
CID 62569104
3-ethoxy-N-[3-(4-methylpiperazin-1-yl)propyl]cyclobutan-1-amine
CID 112554482
N-[3-(3-ethylpiperidin-1-yl)propyl]cyclopropanamine
CID 60867302
N-[4-(4-propylpiperazin-1-yl)butyl]cyclopropanamine
CID 62424326
trans-(1S,3S)-N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]-3-phenylcyclopentan-1-amine
CID 129446341
4-ethyl-N-[3-(2-methylpiperidin-1-yl)propyl]cyclohexan-1-amine
CID 43079554
N-[3-(4-tert-butylpiperazin-1-yl)propyl]cyclopropanamine
CID 61430975

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[3-(4-methylpiperazin-1-yl)propyl]cyclopentan-1-amine?
The IUPAC name of 3-ethyl-N-[3-(4-methylpiperazin-1-yl)propyl]cyclopentan-1-amine (CID 64502067) is 3-ethyl-N-[3-(4-methylpiperazin-1-yl)propyl]cyclopentan-1-amine.
What is the SMILES notation for 3-ethyl-N-[3-(4-methylpiperazin-1-yl)propyl]cyclopentan-1-amine?
The canonical SMILES for 3-ethyl-N-[3-(4-methylpiperazin-1-yl)propyl]cyclopentan-1-amine is CCC1CCC(NCCCN2CCN(C)CC2)C1.
What is the InChIKey of 3-ethyl-N-[3-(4-methylpiperazin-1-yl)propyl]cyclopentan-1-amine?
The InChIKey is JSOJVBDSWYBENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-3-14-5-6-15(13-14)16-7-4-8-18-11-9-17(2)10-12-18/h14-16H,3-13H2,1-2H3.
What are the key properties of 3-ethyl-N-[3-(4-methylpiperazin-1-yl)propyl]cyclopentan-1-amine?
3-ethyl-N-[3-(4-methylpiperazin-1-yl)propyl]cyclopentan-1-amine has a molecular weight of 253.43 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[3-(4-methylpiperazin-1-yl)propyl]cyclopentan-1-amine is sourced from PubChem (CID 64502067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).