[1-[2-(3,4-dimethylpiperazin-1-yl)ethyl]cyclobutyl]methanamine

C13H27N3 — CID 81171364

IUPAC[1-[2-(3,4-dimethylpiperazin-1-yl)ethyl]cyclobutyl]methanamine
SMILESCC1CN(CCC2(CN)CCC2)CCN1C
InChIInChI=1S/C13H27N3/c1-12-10-16(9-8-15(12)2)7-6-13(11-14)4-3-5-13/h12H,3-11,14H2,1-2H3
InChIKeyGRBJECLPENOAOC-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.14
Rot. Bonds4

About [1-[2-(3,4-dimethylpiperazin-1-yl)ethyl]cyclobutyl]methanamine

[1-[2-(3,4-dimethylpiperazin-1-yl)ethyl]cyclobutyl]methanamine (PubChem CID 81171364) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is [1-[2-(3,4-dimethylpiperazin-1-yl)ethyl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-[2-(3,4-dimethylpiperazin-1-yl)ethyl]cyclobutyl]methanamine
PubChem CID81171364
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name[1-[2-(3,4-dimethylpiperazin-1-yl)ethyl]cyclobutyl]methanamine
SMILESCC1CN(CCC2(CN)CCC2)CCN1C
InChIInChI=1S/C13H27N3/c1-12-10-16(9-8-15(12)2)7-6-13(11-14)4-3-5-13/h12H,3-11,14H2,1-2H3
InChIKeyGRBJECLPENOAOC-UHFFFAOYSA-N
XLogP1.14
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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 [1-[2-(3,4-dimethylpiperazin-1-yl)ethyl]cyclobutyl]methanamine?
The IUPAC name of [1-[2-(3,4-dimethylpiperazin-1-yl)ethyl]cyclobutyl]methanamine (CID 81171364) is [1-[2-(3,4-dimethylpiperazin-1-yl)ethyl]cyclobutyl]methanamine.
What is the SMILES notation for [1-[2-(3,4-dimethylpiperazin-1-yl)ethyl]cyclobutyl]methanamine?
The canonical SMILES for [1-[2-(3,4-dimethylpiperazin-1-yl)ethyl]cyclobutyl]methanamine is CC1CN(CCC2(CN)CCC2)CCN1C.
What is the InChIKey of [1-[2-(3,4-dimethylpiperazin-1-yl)ethyl]cyclobutyl]methanamine?
The InChIKey is GRBJECLPENOAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-12-10-16(9-8-15(12)2)7-6-13(11-14)4-3-5-13/h12H,3-11,14H2,1-2H3.
What are the key properties of [1-[2-(3,4-dimethylpiperazin-1-yl)ethyl]cyclobutyl]methanamine?
[1-[2-(3,4-dimethylpiperazin-1-yl)ethyl]cyclobutyl]methanamine has a molecular weight of 225.38 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(3,4-dimethylpiperazin-1-yl)ethyl]cyclobutyl]methanamine is sourced from PubChem (CID 81171364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).