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

C15H31N3 — CID 63619488

IUPACN-[3-(4-ethyl-3-methylpiperazin-1-yl)propyl]cyclopentanamine
SMILESCCN1CCN(CCCNC2CCCC2)CC1C
InChIInChI=1S/C15H31N3/c1-3-18-12-11-17(13-14(18)2)10-6-9-16-15-7-4-5-8-15/h14-16H,3-13H2,1-2H3
InChIKeyVEKSHIRZNPRINC-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.93
Rot. Bonds6

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

N-[3-(4-ethyl-3-methylpiperazin-1-yl)propyl]cyclopentanamine (PubChem CID 63619488) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is N-[3-(4-ethyl-3-methylpiperazin-1-yl)propyl]cyclopentanamine.

Molecular Properties

Compound NameN-[3-(4-ethyl-3-methylpiperazin-1-yl)propyl]cyclopentanamine
PubChem CID63619488
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC NameN-[3-(4-ethyl-3-methylpiperazin-1-yl)propyl]cyclopentanamine
SMILESCCN1CCN(CCCNC2CCCC2)CC1C
InChIInChI=1S/C15H31N3/c1-3-18-12-11-17(13-14(18)2)10-6-9-16-15-7-4-5-8-15/h14-16H,3-13H2,1-2H3
InChIKeyVEKSHIRZNPRINC-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

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-ethyl-3-methylpiperazin-1-yl)ethyl]-2-methylcyclohexan-1-amine
CID 55217011
N-[3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propyl]cyclopentanamine
CID 79945215
N-[3-(2-methylpiperidin-1-yl)propyl]cyclohexanamine
CID 43178283
N-[3-(4-ethylpiperidin-1-yl)propyl]cyclopentanamine
CID 55087537
N-[3-(4-methyl-1,4-diazepan-1-yl)propyl]cyclopentanamine
CID 62569104
N-[3-(3-methoxy-4-methylpiperidin-1-yl)propyl]cyclopentanamine
CID 102968310
2-[2-(4-ethyl-3-methylpiperazin-1-yl)ethyl]-N-propylcyclopentan-1-amine
CID 79566033
N-[3-(3-propoxypiperidin-1-yl)propyl]cyclopentanamine
CID 62563284
3-ethoxy-N-[2-(4-ethyl-3-methylpiperazin-1-yl)ethyl]propan-1-amine
CID 63619832
6-(4-ethyl-3-methylpiperazin-1-yl)-N-propylhexan-3-amine
CID 106799849
N-[3-(4-methylsulfonylpiperazin-1-yl)propyl]cyclopentanamine
CID 63004730
N-[3-(3-ethylpiperidin-1-yl)propyl]cyclopropanamine
CID 60867302

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethyl-3-methylpiperazin-1-yl)propyl]cyclopentanamine?
The IUPAC name of N-[3-(4-ethyl-3-methylpiperazin-1-yl)propyl]cyclopentanamine (CID 63619488) is N-[3-(4-ethyl-3-methylpiperazin-1-yl)propyl]cyclopentanamine.
What is the SMILES notation for N-[3-(4-ethyl-3-methylpiperazin-1-yl)propyl]cyclopentanamine?
The canonical SMILES for N-[3-(4-ethyl-3-methylpiperazin-1-yl)propyl]cyclopentanamine is CCN1CCN(CCCNC2CCCC2)CC1C.
What is the InChIKey of N-[3-(4-ethyl-3-methylpiperazin-1-yl)propyl]cyclopentanamine?
The InChIKey is VEKSHIRZNPRINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-3-18-12-11-17(13-14(18)2)10-6-9-16-15-7-4-5-8-15/h14-16H,3-13H2,1-2H3.
What are the key properties of N-[3-(4-ethyl-3-methylpiperazin-1-yl)propyl]cyclopentanamine?
N-[3-(4-ethyl-3-methylpiperazin-1-yl)propyl]cyclopentanamine 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 N-[3-(4-ethyl-3-methylpiperazin-1-yl)propyl]cyclopentanamine is sourced from PubChem (CID 63619488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).