N-(3-bromo-2,2-dimethylpropyl)-N-cyclohexylcyclohexanamine

C17H32BrN — CID 65000034

IUPACN-(3-bromo-2,2-dimethylpropyl)-N-cyclohexylcyclohexanamine
SMILESCC(C)(CBr)CN(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C17H32BrN/c1-17(2,13-18)14-19(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h15-16H,3-14H2,1-2H3
InChIKeySQRHOCWBJQBOME-UHFFFAOYSA-N
MW330.35 g/mol
LogP5.37
Rot. Bonds5

About N-(3-bromo-2,2-dimethylpropyl)-N-cyclohexylcyclohexanamine

N-(3-bromo-2,2-dimethylpropyl)-N-cyclohexylcyclohexanamine (PubChem CID 65000034) has the molecular formula C17H32BrN and a molecular weight of 330.35 g/mol. Its IUPAC name is N-(3-bromo-2,2-dimethylpropyl)-N-cyclohexylcyclohexanamine.

Molecular Properties

Compound NameN-(3-bromo-2,2-dimethylpropyl)-N-cyclohexylcyclohexanamine
PubChem CID65000034
Molecular FormulaC17H32BrN
Molecular Weight330.35 g/mol
Exact Mass329.17
IUPAC NameN-(3-bromo-2,2-dimethylpropyl)-N-cyclohexylcyclohexanamine
SMILESCC(C)(CBr)CN(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C17H32BrN/c1-17(2,13-18)14-19(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h15-16H,3-14H2,1-2H3
InChIKeySQRHOCWBJQBOME-UHFFFAOYSA-N
XLogP5.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.35
LogP ≤ 55.37
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

1-N,1-N-dicyclohexyl-2-cyclopropylpropane-1,2-diamine
CID 60868276
1-N,1-N-dicyclohexyl-2-methylbutane-1,2-diamine
CID 79811831
1-N,1-N-dicyclohexyl-2-methylpentane-1,2-diamine
CID 60853322
2-[(3-bromo-2,2-dimethylpropyl)-cyclopropylamino]ethanol
CID 64997494
N-(3-bromo-2,2-dimethylpropyl)-4-ethyl-N-methylcyclohexan-1-amine
CID 65000192
N-cyclohexyl-N-(silylmethyl)cyclohexanamine
CID 123289765
N-tert-butyl-N',N'-dicyclohexylpropane-1,3-diamine
CID 60851349
N-(2-bromoethyl)-N-(3,3-dimethylbutyl)cyclohexanamine
CID 80674486
N,N-dicyclohexylcyclohexanamine
CID 175770337
(3-bromo-2,2-dimethylpropyl)sulfanylmethylcyclopentane
CID 65000271
N-(2-chloroethyl)-N-cyclobutylcycloheptanamine
CID 102861307
3-bromo-N,2,2-trimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]propan-1-amine
CID 79318918

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2,2-dimethylpropyl)-N-cyclohexylcyclohexanamine?
The IUPAC name of N-(3-bromo-2,2-dimethylpropyl)-N-cyclohexylcyclohexanamine (CID 65000034) is N-(3-bromo-2,2-dimethylpropyl)-N-cyclohexylcyclohexanamine.
What is the SMILES notation for N-(3-bromo-2,2-dimethylpropyl)-N-cyclohexylcyclohexanamine?
The canonical SMILES for N-(3-bromo-2,2-dimethylpropyl)-N-cyclohexylcyclohexanamine is CC(C)(CBr)CN(C1CCCCC1)C1CCCCC1.
What is the InChIKey of N-(3-bromo-2,2-dimethylpropyl)-N-cyclohexylcyclohexanamine?
The InChIKey is SQRHOCWBJQBOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32BrN/c1-17(2,13-18)14-19(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h15-16H,3-14H2,1-2H3.
What are the key properties of N-(3-bromo-2,2-dimethylpropyl)-N-cyclohexylcyclohexanamine?
N-(3-bromo-2,2-dimethylpropyl)-N-cyclohexylcyclohexanamine has a molecular weight of 330.35 g/mol, XLogP of 5.37, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2,2-dimethylpropyl)-N-cyclohexylcyclohexanamine is sourced from PubChem (CID 65000034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).