N-[3-(3,3,4-trimethylpiperazin-1-yl)propyl]cyclopentanamine

C15H31N3 — CID 63619496

IUPACN-[3-(3,3,4-trimethylpiperazin-1-yl)propyl]cyclopentanamine
SMILESCN1CCN(CCCNC2CCCC2)CC1(C)C
InChIInChI=1S/C15H31N3/c1-15(2)13-18(12-11-17(15)3)10-6-9-16-14-7-4-5-8-14/h14,16H,4-13H2,1-3H3
InChIKeyAKDAWMATSBGNKQ-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.93
Rot. Bonds5

About N-[3-(3,3,4-trimethylpiperazin-1-yl)propyl]cyclopentanamine

N-[3-(3,3,4-trimethylpiperazin-1-yl)propyl]cyclopentanamine (PubChem CID 63619496) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is N-[3-(3,3,4-trimethylpiperazin-1-yl)propyl]cyclopentanamine.

Molecular Properties

Compound NameN-[3-(3,3,4-trimethylpiperazin-1-yl)propyl]cyclopentanamine
PubChem CID63619496
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC NameN-[3-(3,3,4-trimethylpiperazin-1-yl)propyl]cyclopentanamine
SMILESCN1CCN(CCCNC2CCCC2)CC1(C)C
InChIInChI=1S/C15H31N3/c1-15(2)13-18(12-11-17(15)3)10-6-9-16-14-7-4-5-8-14/h14,16H,4-13H2,1-3H3
InChIKeyAKDAWMATSBGNKQ-UHFFFAOYSA-N
XLogP1.93
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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'}

Analyze N-[3-(3,3,4-trimethylpiperazin-1-yl)propyl]cyclopentanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,3,4-trimethylpiperazin-1-yl)propyl]cyclopentanamine?
The IUPAC name of N-[3-(3,3,4-trimethylpiperazin-1-yl)propyl]cyclopentanamine (CID 63619496) is N-[3-(3,3,4-trimethylpiperazin-1-yl)propyl]cyclopentanamine.
What is the SMILES notation for N-[3-(3,3,4-trimethylpiperazin-1-yl)propyl]cyclopentanamine?
The canonical SMILES for N-[3-(3,3,4-trimethylpiperazin-1-yl)propyl]cyclopentanamine is CN1CCN(CCCNC2CCCC2)CC1(C)C.
What is the InChIKey of N-[3-(3,3,4-trimethylpiperazin-1-yl)propyl]cyclopentanamine?
The InChIKey is AKDAWMATSBGNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-15(2)13-18(12-11-17(15)3)10-6-9-16-14-7-4-5-8-14/h14,16H,4-13H2,1-3H3.
What are the key properties of N-[3-(3,3,4-trimethylpiperazin-1-yl)propyl]cyclopentanamine?
N-[3-(3,3,4-trimethylpiperazin-1-yl)propyl]cyclopentanamine has a molecular weight of 253.43 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,3,4-trimethylpiperazin-1-yl)propyl]cyclopentanamine is sourced from PubChem (CID 63619496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).