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

C13H27N3 — CID 43585084

IUPAC[1-(4-propan-2-ylpiperazin-1-yl)cyclopentyl]methanamine
SMILESCC(C)N1CCN(C2(CN)CCCC2)CC1
InChIInChI=1S/C13H27N3/c1-12(2)15-7-9-16(10-8-15)13(11-14)5-3-4-6-13/h12H,3-11,14H2,1-2H3
InChIKeyGQZWUTMEQLBZBI-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.28
Rot. Bonds3

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

[1-(4-propan-2-ylpiperazin-1-yl)cyclopentyl]methanamine (PubChem CID 43585084) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is [1-(4-propan-2-ylpiperazin-1-yl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(4-propan-2-ylpiperazin-1-yl)cyclopentyl]methanamine
PubChem CID43585084
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name[1-(4-propan-2-ylpiperazin-1-yl)cyclopentyl]methanamine
SMILESCC(C)N1CCN(C2(CN)CCCC2)CC1
InChIInChI=1S/C13H27N3/c1-12(2)15-7-9-16(10-8-15)13(11-14)5-3-4-6-13/h12H,3-11,14H2,1-2H3
InChIKeyGQZWUTMEQLBZBI-UHFFFAOYSA-N
XLogP1.28
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 ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(4-propan-2-ylpiperazin-1-yl)cyclopentyl]methanamine?
The IUPAC name of [1-(4-propan-2-ylpiperazin-1-yl)cyclopentyl]methanamine (CID 43585084) is [1-(4-propan-2-ylpiperazin-1-yl)cyclopentyl]methanamine.
What is the SMILES notation for [1-(4-propan-2-ylpiperazin-1-yl)cyclopentyl]methanamine?
The canonical SMILES for [1-(4-propan-2-ylpiperazin-1-yl)cyclopentyl]methanamine is CC(C)N1CCN(C2(CN)CCCC2)CC1.
What is the InChIKey of [1-(4-propan-2-ylpiperazin-1-yl)cyclopentyl]methanamine?
The InChIKey is GQZWUTMEQLBZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-12(2)15-7-9-16(10-8-15)13(11-14)5-3-4-6-13/h12H,3-11,14H2,1-2H3.
What are the key properties of [1-(4-propan-2-ylpiperazin-1-yl)cyclopentyl]methanamine?
[1-(4-propan-2-ylpiperazin-1-yl)cyclopentyl]methanamine has a molecular weight of 225.38 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-propan-2-ylpiperazin-1-yl)cyclopentyl]methanamine is sourced from PubChem (CID 43585084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).