1-[(1S,2S)-1-(bromomethyl)-2-methylcyclohexyl]-N-ethylmethanimine

C11H20BrN — CID 163693507

IUPAC1-[(1S,2S)-1-(bromomethyl)-2-methylcyclohexyl]-N-ethylmethanimine
SMILESCC/N=C/[C@]1(CBr)CCCC[C@@H]1C
InChIInChI=1S/C11H20BrN/c1-3-13-9-11(8-12)7-5-4-6-10(11)2/h9-10H,3-8H2,1-2H3/b13-9+/t10-,11+/m0/s1
InChIKeyJUZILKALUQESCW-XEFHMLBGSA-N
MW246.19 g/mol
LogP3.67
Rot. Bonds3

About 1-[(1S,2S)-1-(bromomethyl)-2-methylcyclohexyl]-N-ethylmethanimine

1-[(1S,2S)-1-(bromomethyl)-2-methylcyclohexyl]-N-ethylmethanimine (PubChem CID 163693507) has the molecular formula C11H20BrN and a molecular weight of 246.19 g/mol. Its IUPAC name is 1-[(1S,2S)-1-(bromomethyl)-2-methylcyclohexyl]-N-ethylmethanimine.

Molecular Properties

Compound Name1-[(1S,2S)-1-(bromomethyl)-2-methylcyclohexyl]-N-ethylmethanimine
PubChem CID163693507
Molecular FormulaC11H20BrN
Molecular Weight246.19 g/mol
Exact Mass245.08
IUPAC Name1-[(1S,2S)-1-(bromomethyl)-2-methylcyclohexyl]-N-ethylmethanimine
SMILESCC/N=C/[C@]1(CBr)CCCC[C@@H]1C
InChIInChI=1S/C11H20BrN/c1-3-13-9-11(8-12)7-5-4-6-10(11)2/h9-10H,3-8H2,1-2H3/b13-9+/t10-,11+/m0/s1
InChIKeyJUZILKALUQESCW-XEFHMLBGSA-N
XLogP3.67
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.19
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

trans-(1S,2S)-2-methyl-1-(2-oxopropyl)cyclohexane-1-carbaldehyde
CID 130753828
2-methyl-1-propylcyclopentane-1-carbaldehyde
CID 130655342
1-[(E)-3-chloroprop-2-enyl]-2-methylcyclohexane-1-carbaldehyde
CID 131237182
1,1-difluoro-2-methylcyclohexane
CID 15044189
2-(bromomethyl)-8-methylspiro[2.5]octane
CID 81351055
1,1-dibromo-2-methylcycloheptane
CID 70854356
1-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methylcyclohexan-1-ol
CID 70375082
cis-(1R,2R)-2-methyl-1-(tribromomethyl)cyclohexan-1-ol
CID 125486764
(9R)-9-methylspiro[3.5]nonane
CID 140885739
trichloro-(1,2-dimethylcyclohexyl)silane
CID 18798602
2-methyl-1-propoxycyclohexane-1-carbaldehyde
CID 165494983
1,1,2-trimethylcycloundecane
CID 544748

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2S)-1-(bromomethyl)-2-methylcyclohexyl]-N-ethylmethanimine?
The IUPAC name of 1-[(1S,2S)-1-(bromomethyl)-2-methylcyclohexyl]-N-ethylmethanimine (CID 163693507) is 1-[(1S,2S)-1-(bromomethyl)-2-methylcyclohexyl]-N-ethylmethanimine.
What is the SMILES notation for 1-[(1S,2S)-1-(bromomethyl)-2-methylcyclohexyl]-N-ethylmethanimine?
The canonical SMILES for 1-[(1S,2S)-1-(bromomethyl)-2-methylcyclohexyl]-N-ethylmethanimine is CC/N=C/[C@]1(CBr)CCCC[C@@H]1C.
What is the InChIKey of 1-[(1S,2S)-1-(bromomethyl)-2-methylcyclohexyl]-N-ethylmethanimine?
The InChIKey is JUZILKALUQESCW-XEFHMLBGSA-N. The full InChI is InChI=1S/C11H20BrN/c1-3-13-9-11(8-12)7-5-4-6-10(11)2/h9-10H,3-8H2,1-2H3/b13-9+/t10-,11+/m0/s1.
What are the key properties of 1-[(1S,2S)-1-(bromomethyl)-2-methylcyclohexyl]-N-ethylmethanimine?
1-[(1S,2S)-1-(bromomethyl)-2-methylcyclohexyl]-N-ethylmethanimine has a molecular weight of 246.19 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2S)-1-(bromomethyl)-2-methylcyclohexyl]-N-ethylmethanimine is sourced from PubChem (CID 163693507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).