2-bromo-N-(3-ethoxypropyl)-N-methylcyclohexan-1-amine

C12H24BrNO — CID 102637350

IUPAC2-bromo-N-(3-ethoxypropyl)-N-methylcyclohexan-1-amine
SMILESCCOCCCN(C)C1CCCCC1Br
InChIInChI=1S/C12H24BrNO/c1-3-15-10-6-9-14(2)12-8-5-4-7-11(12)13/h11-12H,3-10H2,1-2H3
InChIKeyUAYSISXKVARFSF-UHFFFAOYSA-N
MW278.23 g/mol
LogP3.05
Rot. Bonds6

About 2-bromo-N-(3-ethoxypropyl)-N-methylcyclohexan-1-amine

2-bromo-N-(3-ethoxypropyl)-N-methylcyclohexan-1-amine (PubChem CID 102637350) has the molecular formula C12H24BrNO and a molecular weight of 278.23 g/mol. Its IUPAC name is 2-bromo-N-(3-ethoxypropyl)-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-bromo-N-(3-ethoxypropyl)-N-methylcyclohexan-1-amine
PubChem CID102637350
Molecular FormulaC12H24BrNO
Molecular Weight278.23 g/mol
Exact Mass277.10
IUPAC Name2-bromo-N-(3-ethoxypropyl)-N-methylcyclohexan-1-amine
SMILESCCOCCCN(C)C1CCCCC1Br
InChIInChI=1S/C12H24BrNO/c1-3-15-10-6-9-14(2)12-8-5-4-7-11(12)13/h11-12H,3-10H2,1-2H3
InChIKeyUAYSISXKVARFSF-UHFFFAOYSA-N
XLogP3.05
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-bromo-N-(3-ethoxypropyl)-N-methylcyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-N-methyl-N-nonylcyclohexan-1-amine
CID 102637207
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-[2-ethoxyethyl(methyl)amino]cyclopentan-1-ol
CID 81061768
trans-(1S,2S)-2-[2-ethoxyethyl(methyl)amino]cyclopentan-1-ol
CID 102734882
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
3-[3-ethoxypropyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol
CID 165490881
2-bromo-N-methyl-N-(2-morpholin-4-ylethyl)cyclohexan-1-amine
CID 102637303
cis-(1S,2R)-N-(2-ethoxyethyl)-N-methyl-2-methylsulfonylcyclopentan-1-amine
CID 129428940
ethane;N-(2-ethoxyethyl)-N-methylcyclobutanamine
CID 176920815

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-ethoxypropyl)-N-methylcyclohexan-1-amine?
The IUPAC name of 2-bromo-N-(3-ethoxypropyl)-N-methylcyclohexan-1-amine (CID 102637350) is 2-bromo-N-(3-ethoxypropyl)-N-methylcyclohexan-1-amine.
What is the SMILES notation for 2-bromo-N-(3-ethoxypropyl)-N-methylcyclohexan-1-amine?
The canonical SMILES for 2-bromo-N-(3-ethoxypropyl)-N-methylcyclohexan-1-amine is CCOCCCN(C)C1CCCCC1Br.
What is the InChIKey of 2-bromo-N-(3-ethoxypropyl)-N-methylcyclohexan-1-amine?
The InChIKey is UAYSISXKVARFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24BrNO/c1-3-15-10-6-9-14(2)12-8-5-4-7-11(12)13/h11-12H,3-10H2,1-2H3.
What are the key properties of 2-bromo-N-(3-ethoxypropyl)-N-methylcyclohexan-1-amine?
2-bromo-N-(3-ethoxypropyl)-N-methylcyclohexan-1-amine has a molecular weight of 278.23 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3-ethoxypropyl)-N-methylcyclohexan-1-amine is sourced from PubChem (CID 102637350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).