N-(3-methyl-3-piperazin-1-ylbutyl)cyclobutanamine

C13H27N3 — CID 115255555

IUPACN-(3-methyl-3-piperazin-1-ylbutyl)cyclobutanamine
SMILESCC(C)(CCNC1CCC1)N1CCNCC1
InChIInChI=1S/C13H27N3/c1-13(2,16-10-8-14-9-11-16)6-7-15-12-4-3-5-12/h12,14-15H,3-11H2,1-2H3
InChIKeyBLIPUUQKWANARJ-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.20
Rot. Bonds5

About N-(3-methyl-3-piperazin-1-ylbutyl)cyclobutanamine

N-(3-methyl-3-piperazin-1-ylbutyl)cyclobutanamine (PubChem CID 115255555) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is N-(3-methyl-3-piperazin-1-ylbutyl)cyclobutanamine.

Molecular Properties

Compound NameN-(3-methyl-3-piperazin-1-ylbutyl)cyclobutanamine
PubChem CID115255555
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC NameN-(3-methyl-3-piperazin-1-ylbutyl)cyclobutanamine
SMILESCC(C)(CCNC1CCC1)N1CCNCC1
InChIInChI=1S/C13H27N3/c1-13(2,16-10-8-14-9-11-16)6-7-15-12-4-3-5-12/h12,14-15H,3-11H2,1-2H3
InChIKeyBLIPUUQKWANARJ-UHFFFAOYSA-N
XLogP1.20
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3-methyl-3-piperazin-1-ylbutyl)cyclobutanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methyl-2-piperazin-1-ylpropyl)cyclopentanamine
CID 80551380
N-methyl-N-(2-methyl-2-piperazin-1-ylpropyl)cycloheptanamine
CID 80551419
1-(2-cyclobutylpropan-2-yl)piperazine
CID 116964788
N-(3-piperidin-4-ylpropyl)cyclobutanamine
CID 62415783
N-(3-methyl-3-piperazin-1-ylbutyl)pyridin-4-amine
CID 115255549
N-(3-fluoro-3-methylbutyl)cyclohexanamine
CID 84661119
1-cyclopentyl-3-methyl-3-piperazin-1-ylbutan-1-one
CID 116924102
4-(cyclobutylamino)-2,2-dimethylbutanoic acid
CID 115221054
1-(2-methylhexan-2-yl)-1,4-diazepane
CID 155280442
1-[2-methyl-1-(1-methylpiperidin-4-yl)propan-2-yl]piperazine
CID 116829848
N-(2-piperidin-4-ylethyl)cyclohexanamine
CID 61150995
N-(3,3-dimethylbutyl)-1-methylpiperidin-4-amine
CID 60693743

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-3-piperazin-1-ylbutyl)cyclobutanamine?
The IUPAC name of N-(3-methyl-3-piperazin-1-ylbutyl)cyclobutanamine (CID 115255555) is N-(3-methyl-3-piperazin-1-ylbutyl)cyclobutanamine.
What is the SMILES notation for N-(3-methyl-3-piperazin-1-ylbutyl)cyclobutanamine?
The canonical SMILES for N-(3-methyl-3-piperazin-1-ylbutyl)cyclobutanamine is CC(C)(CCNC1CCC1)N1CCNCC1.
What is the InChIKey of N-(3-methyl-3-piperazin-1-ylbutyl)cyclobutanamine?
The InChIKey is BLIPUUQKWANARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-13(2,16-10-8-14-9-11-16)6-7-15-12-4-3-5-12/h12,14-15H,3-11H2,1-2H3.
What are the key properties of N-(3-methyl-3-piperazin-1-ylbutyl)cyclobutanamine?
N-(3-methyl-3-piperazin-1-ylbutyl)cyclobutanamine has a molecular weight of 225.38 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-3-piperazin-1-ylbutyl)cyclobutanamine is sourced from PubChem (CID 115255555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).