1-[[[2-(bromomethyl)-3-methylbutyl]-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine

C14H29BrN2 — CID 105416277

IUPAC1-[[[2-(bromomethyl)-3-methylbutyl]-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
SMILESCC(C)C(CBr)CN(C)CC1(N(C)C)CCC1
InChIInChI=1S/C14H29BrN2/c1-12(2)13(9-15)10-17(5)11-14(16(3)4)7-6-8-14/h12-13H,6-11H2,1-5H3
InChIKeyNEQAUTFCYBOKGG-UHFFFAOYSA-N
MW305.30 g/mol
LogP3.07
Rot. Bonds7

About 1-[[[2-(bromomethyl)-3-methylbutyl]-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine

1-[[[2-(bromomethyl)-3-methylbutyl]-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine (PubChem CID 105416277) has the molecular formula C14H29BrN2 and a molecular weight of 305.30 g/mol. Its IUPAC name is 1-[[[2-(bromomethyl)-3-methylbutyl]-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name1-[[[2-(bromomethyl)-3-methylbutyl]-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
PubChem CID105416277
Molecular FormulaC14H29BrN2
Molecular Weight305.30 g/mol
Exact Mass304.15
IUPAC Name1-[[[2-(bromomethyl)-3-methylbutyl]-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
SMILESCC(C)C(CBr)CN(C)CC1(N(C)C)CCC1
InChIInChI=1S/C14H29BrN2/c1-12(2)13(9-15)10-17(5)11-14(16(3)4)7-6-8-14/h12-13H,6-11H2,1-5H3
InChIKeyNEQAUTFCYBOKGG-UHFFFAOYSA-N
XLogP3.07
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 53.07
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

2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]-3-methylbutane-1-thiol
CID 105418772
1-[[[2-(bromomethyl)-3-methylbutyl]-methylamino]methyl]cyclopentan-1-ol
CID 114952421
1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-methylbutan-2-ol
CID 105416413
N'-[[1-(dimethylamino)cyclobutyl]methyl]-N',2-dimethylpropane-1,3-diamine
CID 105413759
1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3,3-dimethylbutan-2-ol
CID 105416425
methyl 3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylpropanoate
CID 105415482
1-[[3-bromopropyl(methyl)amino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105416269
1-[[[1-(bromomethyl)cyclopropyl]methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105416258
1-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N,3-N-dimethylbutane-1,3-diamine
CID 105414306
2-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]butane-1-thiol
CID 105418791
N,N-dimethyl-1-[[methyl(propan-2-yl)amino]methyl]cyclobutan-1-amine
CID 176568551
3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-methylpropanimidamide
CID 105415061

Frequently Asked Questions

What is the IUPAC name of 1-[[[2-(bromomethyl)-3-methylbutyl]-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
The IUPAC name of 1-[[[2-(bromomethyl)-3-methylbutyl]-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine (CID 105416277) is 1-[[[2-(bromomethyl)-3-methylbutyl]-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine.
What is the SMILES notation for 1-[[[2-(bromomethyl)-3-methylbutyl]-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
The canonical SMILES for 1-[[[2-(bromomethyl)-3-methylbutyl]-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine is CC(C)C(CBr)CN(C)CC1(N(C)C)CCC1.
What is the InChIKey of 1-[[[2-(bromomethyl)-3-methylbutyl]-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
The InChIKey is NEQAUTFCYBOKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29BrN2/c1-12(2)13(9-15)10-17(5)11-14(16(3)4)7-6-8-14/h12-13H,6-11H2,1-5H3.
What are the key properties of 1-[[[2-(bromomethyl)-3-methylbutyl]-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
1-[[[2-(bromomethyl)-3-methylbutyl]-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine has a molecular weight of 305.30 g/mol, XLogP of 3.07, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[2-(bromomethyl)-3-methylbutyl]-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine is sourced from PubChem (CID 105416277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).