3-(4-tert-butylpiperazin-1-yl)cyclopentan-1-amine

C13H27N3 — CID 79467792

IUPAC3-(4-tert-butylpiperazin-1-yl)cyclopentan-1-amine
SMILESCC(C)(C)N1CCN(C2CCC(N)C2)CC1
InChIInChI=1S/C13H27N3/c1-13(2,3)16-8-6-15(7-9-16)12-5-4-11(14)10-12/h11-12H,4-10,14H2,1-3H3
InChIKeyBPOIHGIICRBRJJ-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.28
Rot. Bonds1

About 3-(4-tert-butylpiperazin-1-yl)cyclopentan-1-amine

3-(4-tert-butylpiperazin-1-yl)cyclopentan-1-amine (PubChem CID 79467792) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 3-(4-tert-butylpiperazin-1-yl)cyclopentan-1-amine.

Molecular Properties

Compound Name3-(4-tert-butylpiperazin-1-yl)cyclopentan-1-amine
PubChem CID79467792
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name3-(4-tert-butylpiperazin-1-yl)cyclopentan-1-amine
SMILESCC(C)(C)N1CCN(C2CCC(N)C2)CC1
InChIInChI=1S/C13H27N3/c1-13(2,3)16-8-6-15(7-9-16)12-5-4-11(14)10-12/h11-12H,4-10,14H2,1-3H3
InChIKeyBPOIHGIICRBRJJ-UHFFFAOYSA-N
XLogP1.28
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-tert-butylpiperazin-1-yl)cyclopentan-1-amine 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 3-(4-tert-butylpiperazin-1-yl)cyclopentan-1-amine?
The IUPAC name of 3-(4-tert-butylpiperazin-1-yl)cyclopentan-1-amine (CID 79467792) is 3-(4-tert-butylpiperazin-1-yl)cyclopentan-1-amine.
What is the SMILES notation for 3-(4-tert-butylpiperazin-1-yl)cyclopentan-1-amine?
The canonical SMILES for 3-(4-tert-butylpiperazin-1-yl)cyclopentan-1-amine is CC(C)(C)N1CCN(C2CCC(N)C2)CC1.
What is the InChIKey of 3-(4-tert-butylpiperazin-1-yl)cyclopentan-1-amine?
The InChIKey is BPOIHGIICRBRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-13(2,3)16-8-6-15(7-9-16)12-5-4-11(14)10-12/h11-12H,4-10,14H2,1-3H3.
What are the key properties of 3-(4-tert-butylpiperazin-1-yl)cyclopentan-1-amine?
3-(4-tert-butylpiperazin-1-yl)cyclopentan-1-amine has a molecular weight of 225.38 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylpiperazin-1-yl)cyclopentan-1-amine is sourced from PubChem (CID 79467792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).