2-(chloromethyl)-N-(2-ethylbutyl)cyclohexan-1-amine

C13H26ClN — CID 106365168

IUPAC2-(chloromethyl)-N-(2-ethylbutyl)cyclohexan-1-amine
SMILESCCC(CC)CNC1CCCCC1CCl
InChIInChI=1S/C13H26ClN/c1-3-11(4-2)10-15-13-8-6-5-7-12(13)9-14/h11-13,15H,3-10H2,1-2H3
InChIKeyCYZLKXRFKWKCTE-UHFFFAOYSA-N
MW231.81 g/mol
LogP3.81
Rot. Bonds6

About 2-(chloromethyl)-N-(2-ethylbutyl)cyclohexan-1-amine

2-(chloromethyl)-N-(2-ethylbutyl)cyclohexan-1-amine (PubChem CID 106365168) has the molecular formula C13H26ClN and a molecular weight of 231.81 g/mol. Its IUPAC name is 2-(chloromethyl)-N-(2-ethylbutyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-(chloromethyl)-N-(2-ethylbutyl)cyclohexan-1-amine
PubChem CID106365168
Molecular FormulaC13H26ClN
Molecular Weight231.81 g/mol
Exact Mass231.18
IUPAC Name2-(chloromethyl)-N-(2-ethylbutyl)cyclohexan-1-amine
SMILESCCC(CC)CNC1CCCCC1CCl
InChIInChI=1S/C13H26ClN/c1-3-11(4-2)10-15-13-8-6-5-7-12(13)9-14/h11-13,15H,3-10H2,1-2H3
InChIKeyCYZLKXRFKWKCTE-UHFFFAOYSA-N
XLogP3.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.81
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(chloromethyl)cyclopentyl]methyl]-2-ethylbutan-1-amine
CID 82924798
2-(chloromethyl)-N-(2-fluoroethyl)cyclohexan-1-amine
CID 106365146
2-(2-ethylbutyl)-N-propylcyclohexan-1-amine
CID 82930093
2-(chloromethyl)-N-(3-methylbut-2-enyl)cyclohexan-1-amine
CID 106365327
2-(chloromethyl)-N-(2-ethylsulfanylethyl)cyclopentan-1-amine
CID 106365119
2-(chloromethyl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 106365166
2-(chloromethyl)-N-[2-(3-methylbutoxy)ethyl]cyclohexan-1-amine
CID 106365230
2-(chloromethyl)-N-(3-ethoxypropyl)cyclopentan-1-amine
CID 106365073
N-[(2-chlorocyclohexyl)methyl]-2-ethylbutan-1-amine
CID 82925040
N-[2-(chloromethyl)cyclohexyl]propane-2-sulfonamide
CID 106367782
2-(2-ethylhexylamino)cyclohexan-1-ol
CID 60714898
2-(chloromethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclohexan-1-amine
CID 106365344

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-N-(2-ethylbutyl)cyclohexan-1-amine?
The IUPAC name of 2-(chloromethyl)-N-(2-ethylbutyl)cyclohexan-1-amine (CID 106365168) is 2-(chloromethyl)-N-(2-ethylbutyl)cyclohexan-1-amine.
What is the SMILES notation for 2-(chloromethyl)-N-(2-ethylbutyl)cyclohexan-1-amine?
The canonical SMILES for 2-(chloromethyl)-N-(2-ethylbutyl)cyclohexan-1-amine is CCC(CC)CNC1CCCCC1CCl.
What is the InChIKey of 2-(chloromethyl)-N-(2-ethylbutyl)cyclohexan-1-amine?
The InChIKey is CYZLKXRFKWKCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26ClN/c1-3-11(4-2)10-15-13-8-6-5-7-12(13)9-14/h11-13,15H,3-10H2,1-2H3.
What are the key properties of 2-(chloromethyl)-N-(2-ethylbutyl)cyclohexan-1-amine?
2-(chloromethyl)-N-(2-ethylbutyl)cyclohexan-1-amine has a molecular weight of 231.81 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-N-(2-ethylbutyl)cyclohexan-1-amine is sourced from PubChem (CID 106365168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).