2-[4-(2-methylpropyl)piperazin-1-yl]cyclopentan-1-amine

C13H27N3 — CID 62776201

IUPAC2-[4-(2-methylpropyl)piperazin-1-yl]cyclopentan-1-amine
SMILESCC(C)CN1CCN(C2CCCC2N)CC1
InChIInChI=1S/C13H27N3/c1-11(2)10-15-6-8-16(9-7-15)13-5-3-4-12(13)14/h11-13H,3-10,14H2,1-2H3
InChIKeyMUCPWVKRBUNSBL-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.14
Rot. Bonds3

About 2-[4-(2-methylpropyl)piperazin-1-yl]cyclopentan-1-amine

2-[4-(2-methylpropyl)piperazin-1-yl]cyclopentan-1-amine (PubChem CID 62776201) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 2-[4-(2-methylpropyl)piperazin-1-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-[4-(2-methylpropyl)piperazin-1-yl]cyclopentan-1-amine
PubChem CID62776201
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name2-[4-(2-methylpropyl)piperazin-1-yl]cyclopentan-1-amine
SMILESCC(C)CN1CCN(C2CCCC2N)CC1
InChIInChI=1S/C13H27N3/c1-11(2)10-15-6-8-16(9-7-15)13-5-3-4-12(13)14/h11-13H,3-10,14H2,1-2H3
InChIKeyMUCPWVKRBUNSBL-UHFFFAOYSA-N
XLogP1.14
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylpropyl)piperazin-1-yl]cyclopentan-1-amine?
The IUPAC name of 2-[4-(2-methylpropyl)piperazin-1-yl]cyclopentan-1-amine (CID 62776201) is 2-[4-(2-methylpropyl)piperazin-1-yl]cyclopentan-1-amine.
What is the SMILES notation for 2-[4-(2-methylpropyl)piperazin-1-yl]cyclopentan-1-amine?
The canonical SMILES for 2-[4-(2-methylpropyl)piperazin-1-yl]cyclopentan-1-amine is CC(C)CN1CCN(C2CCCC2N)CC1.
What is the InChIKey of 2-[4-(2-methylpropyl)piperazin-1-yl]cyclopentan-1-amine?
The InChIKey is MUCPWVKRBUNSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-11(2)10-15-6-8-16(9-7-15)13-5-3-4-12(13)14/h11-13H,3-10,14H2,1-2H3.
What are the key properties of 2-[4-(2-methylpropyl)piperazin-1-yl]cyclopentan-1-amine?
2-[4-(2-methylpropyl)piperazin-1-yl]cyclopentan-1-amine has a molecular weight of 225.38 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpropyl)piperazin-1-yl]cyclopentan-1-amine is sourced from PubChem (CID 62776201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).