3-bromo-N-(cyclobutylmethyl)-N,2-dimethylpropan-1-amine

C10H20BrN — CID 64994702

IUPAC3-bromo-N-(cyclobutylmethyl)-N,2-dimethylpropan-1-amine
SMILESCC(CBr)CN(C)CC1CCC1
InChIInChI=1S/C10H20BrN/c1-9(6-11)7-12(2)8-10-4-3-5-10/h9-10H,3-8H2,1-2H3
InChIKeyCBYOELFJLIJDOV-UHFFFAOYSA-N
MW234.18 g/mol
LogP2.75
Rot. Bonds5

About 3-bromo-N-(cyclobutylmethyl)-N,2-dimethylpropan-1-amine

3-bromo-N-(cyclobutylmethyl)-N,2-dimethylpropan-1-amine (PubChem CID 64994702) has the molecular formula C10H20BrN and a molecular weight of 234.18 g/mol. Its IUPAC name is 3-bromo-N-(cyclobutylmethyl)-N,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-bromo-N-(cyclobutylmethyl)-N,2-dimethylpropan-1-amine
PubChem CID64994702
Molecular FormulaC10H20BrN
Molecular Weight234.18 g/mol
Exact Mass233.08
IUPAC Name3-bromo-N-(cyclobutylmethyl)-N,2-dimethylpropan-1-amine
SMILESCC(CBr)CN(C)CC1CCC1
InChIInChI=1S/C10H20BrN/c1-9(6-11)7-12(2)8-10-4-3-5-10/h9-10H,3-8H2,1-2H3
InChIKeyCBYOELFJLIJDOV-UHFFFAOYSA-N
XLogP2.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 3-bromo-N-(cyclobutylmethyl)-N,2-dimethylpropan-1-amine 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-(cyclobutylmethyl)-N,2-dimethylbutane-1,4-diamine
CID 80544292
N-tert-butyl-N'-(cyclopentylmethyl)-N',2-dimethylpropane-1,3-diamine
CID 63656930
4-[cyclohexylmethyl(methyl)amino]-3-methylbutanoic acid
CID 115220036
N-(cyclohexylmethyl)-N'-ethyl-N,2-dimethylpropane-1,3-diamine
CID 62413248
3-[cyclobutylmethyl(methyl)amino]-2-methylpropanoic acid
CID 62861866
3-[cyclobutylmethyl(methyl)amino]-2-(propan-2-ylamino)propan-1-ol
CID 64787053
2-amino-3-[cyclobutylmethyl(methyl)amino]propan-1-ol
CID 64787802
(2S)-1-N-(cyclopropylmethyl)-1-N-methylpropane-1,2-diamine
CID 93424361
2-chloro-N-(cyclopropylmethyl)-N-methylpropan-1-amine
CID 63387305
1-N-(cyclopropylmethyl)-1-N-methylpropane-1,2-diamine
CID 60984207
N'-(cyclobutylmethyl)-1-cyclopentyl-N,N'-dimethylethane-1,2-diamine
CID 104745978
N-(cyclopentylmethyl)-2,2-dimethoxy-N-methylethanamine
CID 66222142

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(cyclobutylmethyl)-N,2-dimethylpropan-1-amine?
The IUPAC name of 3-bromo-N-(cyclobutylmethyl)-N,2-dimethylpropan-1-amine (CID 64994702) is 3-bromo-N-(cyclobutylmethyl)-N,2-dimethylpropan-1-amine.
What is the SMILES notation for 3-bromo-N-(cyclobutylmethyl)-N,2-dimethylpropan-1-amine?
The canonical SMILES for 3-bromo-N-(cyclobutylmethyl)-N,2-dimethylpropan-1-amine is CC(CBr)CN(C)CC1CCC1.
What is the InChIKey of 3-bromo-N-(cyclobutylmethyl)-N,2-dimethylpropan-1-amine?
The InChIKey is CBYOELFJLIJDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrN/c1-9(6-11)7-12(2)8-10-4-3-5-10/h9-10H,3-8H2,1-2H3.
What are the key properties of 3-bromo-N-(cyclobutylmethyl)-N,2-dimethylpropan-1-amine?
3-bromo-N-(cyclobutylmethyl)-N,2-dimethylpropan-1-amine has a molecular weight of 234.18 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(cyclobutylmethyl)-N,2-dimethylpropan-1-amine is sourced from PubChem (CID 64994702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).