1-cyclobutyl-4-piperazin-1-ylbutan-1-amine

C12H25N3 — CID 116942063

IUPAC1-cyclobutyl-4-piperazin-1-ylbutan-1-amine
SMILESNC(CCCN1CCNCC1)C1CCC1
InChIInChI=1S/C12H25N3/c13-12(11-3-1-4-11)5-2-8-15-9-6-14-7-10-15/h11-12,14H,1-10,13H2
InChIKeySXBKZPSVABFLFZ-UHFFFAOYSA-N
MW211.35 g/mol
LogP0.80
Rot. Bonds5

About 1-cyclobutyl-4-piperazin-1-ylbutan-1-amine

1-cyclobutyl-4-piperazin-1-ylbutan-1-amine (PubChem CID 116942063) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-cyclobutyl-4-piperazin-1-ylbutan-1-amine.

Molecular Properties

Compound Name1-cyclobutyl-4-piperazin-1-ylbutan-1-amine
PubChem CID116942063
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name1-cyclobutyl-4-piperazin-1-ylbutan-1-amine
SMILESNC(CCCN1CCNCC1)C1CCC1
InChIInChI=1S/C12H25N3/c13-12(11-3-1-4-11)5-2-8-15-9-6-14-7-10-15/h11-12,14H,1-10,13H2
InChIKeySXBKZPSVABFLFZ-UHFFFAOYSA-N
XLogP0.80
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-4-piperazin-1-ylbutan-1-amine?
The IUPAC name of 1-cyclobutyl-4-piperazin-1-ylbutan-1-amine (CID 116942063) is 1-cyclobutyl-4-piperazin-1-ylbutan-1-amine.
What is the SMILES notation for 1-cyclobutyl-4-piperazin-1-ylbutan-1-amine?
The canonical SMILES for 1-cyclobutyl-4-piperazin-1-ylbutan-1-amine is NC(CCCN1CCNCC1)C1CCC1.
What is the InChIKey of 1-cyclobutyl-4-piperazin-1-ylbutan-1-amine?
The InChIKey is SXBKZPSVABFLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c13-12(11-3-1-4-11)5-2-8-15-9-6-14-7-10-15/h11-12,14H,1-10,13H2.
What are the key properties of 1-cyclobutyl-4-piperazin-1-ylbutan-1-amine?
1-cyclobutyl-4-piperazin-1-ylbutan-1-amine has a molecular weight of 211.35 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-4-piperazin-1-ylbutan-1-amine is sourced from PubChem (CID 116942063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).