2-bromo-N-methyl-N-(2-methylpropyl)cyclohexan-1-amine

C11H22BrN — CID 102637295

IUPAC2-bromo-N-methyl-N-(2-methylpropyl)cyclohexan-1-amine
SMILESCC(C)CN(C)C1CCCCC1Br
InChIInChI=1S/C11H22BrN/c1-9(2)8-13(3)11-7-5-4-6-10(11)12/h9-11H,4-8H2,1-3H3
InChIKeyDAUGFEFFJPOGDI-UHFFFAOYSA-N
MW248.21 g/mol
LogP3.28
Rot. Bonds3

About 2-bromo-N-methyl-N-(2-methylpropyl)cyclohexan-1-amine

2-bromo-N-methyl-N-(2-methylpropyl)cyclohexan-1-amine (PubChem CID 102637295) has the molecular formula C11H22BrN and a molecular weight of 248.21 g/mol. Its IUPAC name is 2-bromo-N-methyl-N-(2-methylpropyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-bromo-N-methyl-N-(2-methylpropyl)cyclohexan-1-amine
PubChem CID102637295
Molecular FormulaC11H22BrN
Molecular Weight248.21 g/mol
Exact Mass247.09
IUPAC Name2-bromo-N-methyl-N-(2-methylpropyl)cyclohexan-1-amine
SMILESCC(C)CN(C)C1CCCCC1Br
InChIInChI=1S/C11H22BrN/c1-9(2)8-13(3)11-7-5-4-6-10(11)12/h9-11H,4-8H2,1-3H3
InChIKeyDAUGFEFFJPOGDI-UHFFFAOYSA-N
XLogP3.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-(2-methylpropyl)cyclopentanamine
CID 89147388
N-(2-bromocyclohexyl)-N,3-dimethylbutane-1-sulfonamide
CID 102638590
2-bromo-N-methyl-N-nonylcyclohexan-1-amine
CID 102637207
2-bromo-N-(3-ethoxypropyl)-N-methylcyclohexan-1-amine
CID 102637350
2-bromo-N-methyl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine
CID 102637217
2-bromo-N-[(3,5-dimethylphenyl)methyl]-N-methylcyclohexan-1-amine
CID 102637234
N-methyl-N-(2-methylpropyl)-2-[(propan-2-ylamino)methyl]cyclobutan-1-amine
CID 80999324
methane;methanol;N-methyl-N-(2-methylpropyl)cyclobutanamine
CID 155582647
2-bromo-N-[(2,6-dichlorophenyl)methyl]-N-methylcyclohexan-1-amine
CID 102637231
2-bromo-N-[(2,6-difluorophenyl)methyl]-N-methylcyclohexan-1-amine
CID 102637204
2-bromo-N-methyl-N-[2-(oxolan-2-yl)ethyl]cyclohexan-1-amine
CID 102637312
2-bromo-N-methyl-N-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-amine
CID 102637218

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-methyl-N-(2-methylpropyl)cyclohexan-1-amine?
The IUPAC name of 2-bromo-N-methyl-N-(2-methylpropyl)cyclohexan-1-amine (CID 102637295) is 2-bromo-N-methyl-N-(2-methylpropyl)cyclohexan-1-amine.
What is the SMILES notation for 2-bromo-N-methyl-N-(2-methylpropyl)cyclohexan-1-amine?
The canonical SMILES for 2-bromo-N-methyl-N-(2-methylpropyl)cyclohexan-1-amine is CC(C)CN(C)C1CCCCC1Br.
What is the InChIKey of 2-bromo-N-methyl-N-(2-methylpropyl)cyclohexan-1-amine?
The InChIKey is DAUGFEFFJPOGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BrN/c1-9(2)8-13(3)11-7-5-4-6-10(11)12/h9-11H,4-8H2,1-3H3.
What are the key properties of 2-bromo-N-methyl-N-(2-methylpropyl)cyclohexan-1-amine?
2-bromo-N-methyl-N-(2-methylpropyl)cyclohexan-1-amine has a molecular weight of 248.21 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-methyl-N-(2-methylpropyl)cyclohexan-1-amine is sourced from PubChem (CID 102637295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).