2-bromo-N-methyl-N-(2-morpholin-4-ylethyl)cyclohexan-1-amine

C13H25BrN2O — CID 102637303

IUPAC2-bromo-N-methyl-N-(2-morpholin-4-ylethyl)cyclohexan-1-amine
SMILESCN(CCN1CCOCC1)C1CCCCC1Br
InChIInChI=1S/C13H25BrN2O/c1-15(13-5-3-2-4-12(13)14)6-7-16-8-10-17-11-9-16/h12-13H,2-11H2,1H3
InChIKeyWGDCDZHDPUWZKK-UHFFFAOYSA-N
MW305.26 g/mol
LogP1.96
Rot. Bonds4

About 2-bromo-N-methyl-N-(2-morpholin-4-ylethyl)cyclohexan-1-amine

2-bromo-N-methyl-N-(2-morpholin-4-ylethyl)cyclohexan-1-amine (PubChem CID 102637303) has the molecular formula C13H25BrN2O and a molecular weight of 305.26 g/mol. Its IUPAC name is 2-bromo-N-methyl-N-(2-morpholin-4-ylethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-bromo-N-methyl-N-(2-morpholin-4-ylethyl)cyclohexan-1-amine
PubChem CID102637303
Molecular FormulaC13H25BrN2O
Molecular Weight305.26 g/mol
Exact Mass304.12
IUPAC Name2-bromo-N-methyl-N-(2-morpholin-4-ylethyl)cyclohexan-1-amine
SMILESCN(CCN1CCOCC1)C1CCCCC1Br
InChIInChI=1S/C13H25BrN2O/c1-15(13-5-3-2-4-12(13)14)6-7-16-8-10-17-11-9-16/h12-13H,2-11H2,1H3
InChIKeyWGDCDZHDPUWZKK-UHFFFAOYSA-N
XLogP1.96
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,1-dimethyl-N-(2-morpholin-4-ylethyl)pyrrolidin-3-amine
CID 145256619
zinc;N,N-dimethyl-2-morpholin-4-ylethanamine;dichloride
CID 70152362
2-bromo-N-methyl-N-[2-(oxolan-2-yl)ethyl]cyclohexan-1-amine
CID 102637312
4-[methyl(2-morpholin-4-ylethyl)amino]cyclohexan-1-one
CID 79120517
3-[methyl(2-pyrrolidin-1-ylethyl)amino]oxan-4-ol
CID 63211366
2-bromo-N-(3-ethoxypropyl)-N-methylcyclohexan-1-amine
CID 102637350
N,2-dimethyl-N-(2-morpholin-4-ylethyl)propan-2-amine
CID 21030135
1-N,2-N-dimethyl-1-N-(2-pyrrolidin-1-ylethyl)cyclopentane-1,2-diamine
CID 63207186
N'-cyclopropyl-N'-methyl-N-(2-morpholin-4-ylethyl)ethane-1,2-diamine
CID 62977611
N'-cyclohexyl-N'-(2-morpholin-4-ylethyl)ethane-1,2-diamine
CID 55242012
4-[2-(3-bromo-8-azabicyclo[3.2.1]octan-8-yl)ethyl]morpholine
CID 80669048
2-N-methyl-1-N-propyl-2-N-(2-pyrrolidin-1-ylethyl)cyclooctane-1,2-diamine
CID 63207322

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-methyl-N-(2-morpholin-4-ylethyl)cyclohexan-1-amine?
The IUPAC name of 2-bromo-N-methyl-N-(2-morpholin-4-ylethyl)cyclohexan-1-amine (CID 102637303) is 2-bromo-N-methyl-N-(2-morpholin-4-ylethyl)cyclohexan-1-amine.
What is the SMILES notation for 2-bromo-N-methyl-N-(2-morpholin-4-ylethyl)cyclohexan-1-amine?
The canonical SMILES for 2-bromo-N-methyl-N-(2-morpholin-4-ylethyl)cyclohexan-1-amine is CN(CCN1CCOCC1)C1CCCCC1Br.
What is the InChIKey of 2-bromo-N-methyl-N-(2-morpholin-4-ylethyl)cyclohexan-1-amine?
The InChIKey is WGDCDZHDPUWZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25BrN2O/c1-15(13-5-3-2-4-12(13)14)6-7-16-8-10-17-11-9-16/h12-13H,2-11H2,1H3.
What are the key properties of 2-bromo-N-methyl-N-(2-morpholin-4-ylethyl)cyclohexan-1-amine?
2-bromo-N-methyl-N-(2-morpholin-4-ylethyl)cyclohexan-1-amine has a molecular weight of 305.26 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-methyl-N-(2-morpholin-4-ylethyl)cyclohexan-1-amine is sourced from PubChem (CID 102637303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).