2-bromo-N-methyl-N-nonylcyclohexan-1-amine

C16H32BrN — CID 102637207

IUPAC2-bromo-N-methyl-N-nonylcyclohexan-1-amine
SMILESCCCCCCCCCN(C)C1CCCCC1Br
InChIInChI=1S/C16H32BrN/c1-3-4-5-6-7-8-11-14-18(2)16-13-10-9-12-15(16)17/h15-16H,3-14H2,1-2H3
InChIKeyWERUEIHUQXMJIF-UHFFFAOYSA-N
MW318.34 g/mol
LogP5.37
Rot. Bonds9

About 2-bromo-N-methyl-N-nonylcyclohexan-1-amine

2-bromo-N-methyl-N-nonylcyclohexan-1-amine (PubChem CID 102637207) has the molecular formula C16H32BrN and a molecular weight of 318.34 g/mol. Its IUPAC name is 2-bromo-N-methyl-N-nonylcyclohexan-1-amine.

Molecular Properties

Compound Name2-bromo-N-methyl-N-nonylcyclohexan-1-amine
PubChem CID102637207
Molecular FormulaC16H32BrN
Molecular Weight318.34 g/mol
Exact Mass317.17
IUPAC Name2-bromo-N-methyl-N-nonylcyclohexan-1-amine
SMILESCCCCCCCCCN(C)C1CCCCC1Br
InChIInChI=1S/C16H32BrN/c1-3-4-5-6-7-8-11-14-18(2)16-13-10-9-12-15(16)17/h15-16H,3-14H2,1-2H3
InChIKeyWERUEIHUQXMJIF-UHFFFAOYSA-N
XLogP5.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.34
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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-methyl-N-(4-phenylbutyl)cyclohexan-1-amine
CID 102637342
2-(aminomethyl)-N-methyl-N-pentylcyclopentan-1-amine
CID 43294515
N-methyl-N-pentylcyclobutanamine
CID 142562644
2-bromo-N-methyl-N-(2-methylpropyl)cyclohexan-1-amine
CID 102637295
2-bromo-N-(3-imidazol-1-ylpropyl)-N-methylcyclohexan-1-amine
CID 102637243
2-bromo-N-methyl-N-[2-(oxolan-2-yl)ethyl]cyclohexan-1-amine
CID 102637312
1-N-butyl-1-N-methylcyclopentane-1,2-diamine
CID 43184025
2-bromo-N-methyl-N-(2-morpholin-4-ylethyl)cyclohexan-1-amine
CID 102637303
2-(dihexylamino)cyclohexan-1-ol
CID 139882524
trans-(1R,2R)-1-N,1-N,2-N-trimethyl-2-N-propylcyclohexane-1,2-diamine
CID 102294439

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-methyl-N-nonylcyclohexan-1-amine?
The IUPAC name of 2-bromo-N-methyl-N-nonylcyclohexan-1-amine (CID 102637207) is 2-bromo-N-methyl-N-nonylcyclohexan-1-amine.
What is the SMILES notation for 2-bromo-N-methyl-N-nonylcyclohexan-1-amine?
The canonical SMILES for 2-bromo-N-methyl-N-nonylcyclohexan-1-amine is CCCCCCCCCN(C)C1CCCCC1Br.
What is the InChIKey of 2-bromo-N-methyl-N-nonylcyclohexan-1-amine?
The InChIKey is WERUEIHUQXMJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32BrN/c1-3-4-5-6-7-8-11-14-18(2)16-13-10-9-12-15(16)17/h15-16H,3-14H2,1-2H3.
What are the key properties of 2-bromo-N-methyl-N-nonylcyclohexan-1-amine?
2-bromo-N-methyl-N-nonylcyclohexan-1-amine has a molecular weight of 318.34 g/mol, XLogP of 5.37, 9 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-nonylcyclohexan-1-amine is sourced from PubChem (CID 102637207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).