1-[[3-bromopropyl(methyl)amino]methyl]-N,N-dimethylcyclobutan-1-amine

C11H23BrN2 — CID 105416269

IUPAC1-[[3-bromopropyl(methyl)amino]methyl]-N,N-dimethylcyclobutan-1-amine
SMILESCN(CCCBr)CC1(N(C)C)CCC1
InChIInChI=1S/C11H23BrN2/c1-13(2)11(6-4-7-11)10-14(3)9-5-8-12/h4-10H2,1-3H3
InChIKeyGESBGLXPTYIHRU-UHFFFAOYSA-N
MW263.22 g/mol
LogP2.19
Rot. Bonds6

About 1-[[3-bromopropyl(methyl)amino]methyl]-N,N-dimethylcyclobutan-1-amine

1-[[3-bromopropyl(methyl)amino]methyl]-N,N-dimethylcyclobutan-1-amine (PubChem CID 105416269) has the molecular formula C11H23BrN2 and a molecular weight of 263.22 g/mol. Its IUPAC name is 1-[[3-bromopropyl(methyl)amino]methyl]-N,N-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name1-[[3-bromopropyl(methyl)amino]methyl]-N,N-dimethylcyclobutan-1-amine
PubChem CID105416269
Molecular FormulaC11H23BrN2
Molecular Weight263.22 g/mol
Exact Mass262.10
IUPAC Name1-[[3-bromopropyl(methyl)amino]methyl]-N,N-dimethylcyclobutan-1-amine
SMILESCN(CCCBr)CC1(N(C)C)CCC1
InChIInChI=1S/C11H23BrN2/c1-13(2)11(6-4-7-11)10-14(3)9-5-8-12/h4-10H2,1-3H3
InChIKeyGESBGLXPTYIHRU-UHFFFAOYSA-N
XLogP2.19
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-methylpentane-1,4-diamine
CID 105414329
N,N-dimethyl-1-[[methyl-[2-(3-methylazetidin-3-yl)oxyethyl]amino]methyl]cyclobutan-1-amine
CID 102657082
N-tert-butyl-N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methylbutane-1,4-diamine
CID 105417884
1-[[[1-(bromomethyl)cyclopropyl]methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105416258
6-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2,2-dimethylhexanenitrile
CID 106710145
1-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N-methyl-4-N-propylpentane-1,4-diamine
CID 105414513
1-[[[2-(bromomethyl)-3-methylbutyl]-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105416277
1-[[[2-(bromomethyl)-2-ethylbutyl]-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105416257
1-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N,3-N-dimethylbutane-1,3-diamine
CID 105414306
N'-[[1-(dimethylamino)cyclobutyl]methyl]-2-ethyl-N'-methylbutane-1,4-diamine
CID 105421320
N'-[[1-(dimethylamino)cyclobutyl]methyl]-N'-methyl-N-pentan-3-ylethane-1,2-diamine
CID 105418094
methyl 5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methyl-2-(methylamino)pentanoate
CID 105416856

Frequently Asked Questions

What is the IUPAC name of 1-[[3-bromopropyl(methyl)amino]methyl]-N,N-dimethylcyclobutan-1-amine?
The IUPAC name of 1-[[3-bromopropyl(methyl)amino]methyl]-N,N-dimethylcyclobutan-1-amine (CID 105416269) is 1-[[3-bromopropyl(methyl)amino]methyl]-N,N-dimethylcyclobutan-1-amine.
What is the SMILES notation for 1-[[3-bromopropyl(methyl)amino]methyl]-N,N-dimethylcyclobutan-1-amine?
The canonical SMILES for 1-[[3-bromopropyl(methyl)amino]methyl]-N,N-dimethylcyclobutan-1-amine is CN(CCCBr)CC1(N(C)C)CCC1.
What is the InChIKey of 1-[[3-bromopropyl(methyl)amino]methyl]-N,N-dimethylcyclobutan-1-amine?
The InChIKey is GESBGLXPTYIHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23BrN2/c1-13(2)11(6-4-7-11)10-14(3)9-5-8-12/h4-10H2,1-3H3.
What are the key properties of 1-[[3-bromopropyl(methyl)amino]methyl]-N,N-dimethylcyclobutan-1-amine?
1-[[3-bromopropyl(methyl)amino]methyl]-N,N-dimethylcyclobutan-1-amine has a molecular weight of 263.22 g/mol, XLogP of 2.19, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-bromopropyl(methyl)amino]methyl]-N,N-dimethylcyclobutan-1-amine is sourced from PubChem (CID 105416269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).