2-(4-cyclopentylpiperazin-1-yl)-4,4-dimethylpentan-1-amine

C16H33N3 — CID 62950972

IUPAC2-(4-cyclopentylpiperazin-1-yl)-4,4-dimethylpentan-1-amine
SMILESCC(C)(C)CC(CN)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C16H33N3/c1-16(2,3)12-15(13-17)19-10-8-18(9-11-19)14-6-4-5-7-14/h14-15H,4-13,17H2,1-3H3
InChIKeyVUYJRCLQVQGWHZ-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.31
Rot. Bonds4

About 2-(4-cyclopentylpiperazin-1-yl)-4,4-dimethylpentan-1-amine

2-(4-cyclopentylpiperazin-1-yl)-4,4-dimethylpentan-1-amine (PubChem CID 62950972) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 2-(4-cyclopentylpiperazin-1-yl)-4,4-dimethylpentan-1-amine.

Molecular Properties

Compound Name2-(4-cyclopentylpiperazin-1-yl)-4,4-dimethylpentan-1-amine
PubChem CID62950972
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name2-(4-cyclopentylpiperazin-1-yl)-4,4-dimethylpentan-1-amine
SMILESCC(C)(C)CC(CN)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C16H33N3/c1-16(2,3)12-15(13-17)19-10-8-18(9-11-19)14-6-4-5-7-14/h14-15H,4-13,17H2,1-3H3
InChIKeyVUYJRCLQVQGWHZ-UHFFFAOYSA-N
XLogP2.31
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopentylpiperazin-1-yl)-4,4-dimethylpentan-1-amine?
The IUPAC name of 2-(4-cyclopentylpiperazin-1-yl)-4,4-dimethylpentan-1-amine (CID 62950972) is 2-(4-cyclopentylpiperazin-1-yl)-4,4-dimethylpentan-1-amine.
What is the SMILES notation for 2-(4-cyclopentylpiperazin-1-yl)-4,4-dimethylpentan-1-amine?
The canonical SMILES for 2-(4-cyclopentylpiperazin-1-yl)-4,4-dimethylpentan-1-amine is CC(C)(C)CC(CN)N1CCN(C2CCCC2)CC1.
What is the InChIKey of 2-(4-cyclopentylpiperazin-1-yl)-4,4-dimethylpentan-1-amine?
The InChIKey is VUYJRCLQVQGWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-16(2,3)12-15(13-17)19-10-8-18(9-11-19)14-6-4-5-7-14/h14-15H,4-13,17H2,1-3H3.
What are the key properties of 2-(4-cyclopentylpiperazin-1-yl)-4,4-dimethylpentan-1-amine?
2-(4-cyclopentylpiperazin-1-yl)-4,4-dimethylpentan-1-amine has a molecular weight of 267.46 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopentylpiperazin-1-yl)-4,4-dimethylpentan-1-amine is sourced from PubChem (CID 62950972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).