[3,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)cyclopentyl]methanamine

C15H31N3 — CID 80706349

IUPAC[3,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)cyclopentyl]methanamine
SMILESCC(C)N1CCN(C2(CN)CCC(C)(C)C2)CC1
InChIInChI=1S/C15H31N3/c1-13(2)17-7-9-18(10-8-17)15(12-16)6-5-14(3,4)11-15/h13H,5-12,16H2,1-4H3
InChIKeyTYYINPGIKFDVKF-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.92
Rot. Bonds3

About [3,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)cyclopentyl]methanamine

[3,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)cyclopentyl]methanamine (PubChem CID 80706349) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is [3,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[3,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)cyclopentyl]methanamine
PubChem CID80706349
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name[3,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)cyclopentyl]methanamine
SMILESCC(C)N1CCN(C2(CN)CCC(C)(C)C2)CC1
InChIInChI=1S/C15H31N3/c1-13(2)17-7-9-18(10-8-17)15(12-16)6-5-14(3,4)11-15/h13H,5-12,16H2,1-4H3
InChIKeyTYYINPGIKFDVKF-UHFFFAOYSA-N
XLogP1.92
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)cyclopentyl]methanamine 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 [3,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)cyclopentyl]methanamine?
The IUPAC name of [3,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)cyclopentyl]methanamine (CID 80706349) is [3,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)cyclopentyl]methanamine.
What is the SMILES notation for [3,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)cyclopentyl]methanamine?
The canonical SMILES for [3,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)cyclopentyl]methanamine is CC(C)N1CCN(C2(CN)CCC(C)(C)C2)CC1.
What is the InChIKey of [3,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)cyclopentyl]methanamine?
The InChIKey is TYYINPGIKFDVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-13(2)17-7-9-18(10-8-17)15(12-16)6-5-14(3,4)11-15/h13H,5-12,16H2,1-4H3.
What are the key properties of [3,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)cyclopentyl]methanamine?
[3,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)cyclopentyl]methanamine has a molecular weight of 253.43 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)cyclopentyl]methanamine is sourced from PubChem (CID 80706349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).