N-[(2-chlorocyclohexyl)methyl]-2-ethylbutan-1-amine

C13H26ClN — CID 82925040

IUPACN-[(2-chlorocyclohexyl)methyl]-2-ethylbutan-1-amine
SMILESCCC(CC)CNCC1CCCCC1Cl
InChIInChI=1S/C13H26ClN/c1-3-11(4-2)9-15-10-12-7-5-6-8-13(12)14/h11-13,15H,3-10H2,1-2H3
InChIKeyFEZTZOSWDCEFPK-UHFFFAOYSA-N
MW231.81 g/mol
LogP3.81
Rot. Bonds6

About N-[(2-chlorocyclohexyl)methyl]-2-ethylbutan-1-amine

N-[(2-chlorocyclohexyl)methyl]-2-ethylbutan-1-amine (PubChem CID 82925040) has the molecular formula C13H26ClN and a molecular weight of 231.81 g/mol. Its IUPAC name is N-[(2-chlorocyclohexyl)methyl]-2-ethylbutan-1-amine.

Molecular Properties

Compound NameN-[(2-chlorocyclohexyl)methyl]-2-ethylbutan-1-amine
PubChem CID82925040
Molecular FormulaC13H26ClN
Molecular Weight231.81 g/mol
Exact Mass231.18
IUPAC NameN-[(2-chlorocyclohexyl)methyl]-2-ethylbutan-1-amine
SMILESCCC(CC)CNCC1CCCCC1Cl
InChIInChI=1S/C13H26ClN/c1-3-11(4-2)9-15-10-12-7-5-6-8-13(12)14/h11-13,15H,3-10H2,1-2H3
InChIKeyFEZTZOSWDCEFPK-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-chlorocyclopentyl)methyl]-2-ethylbutan-1-amine
CID 82924681
N-[[2-(chloromethyl)cyclopentyl]methyl]-2-ethylbutan-1-amine
CID 82924798
N-(cyclopentylmethyl)-2-ethylbutan-1-amine
CID 43317342
N-[(2-chlorocyclohexyl)methyl]-2-(2-methylpropoxy)ethanamine
CID 106457684
N-[[2-(aminomethyl)cyclopentyl]methyl]-2-ethylhexan-1-amine
CID 114004229
N-[(2-chlorocyclohexyl)methyl]-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 112591784
2-(chloromethyl)-N-(2-ethylbutyl)cyclohexan-1-amine
CID 106365168
N-(2-cyclopentylethyl)-2-ethylbutan-1-amine
CID 60732890
N-[(2-butan-2-ylcyclohexyl)methyl]-2-methylpropan-1-amine
CID 81024946
1-(2-chlorocyclohexyl)-N-(oxan-2-ylmethyl)methanamine
CID 65024568
N-[[(2R)-1,1-dioxothiolan-2-yl]methyl]-2-ethylbutan-1-amine
CID 97053070
N-[(2-chlorocyclopentyl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 114526657

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorocyclohexyl)methyl]-2-ethylbutan-1-amine?
The IUPAC name of N-[(2-chlorocyclohexyl)methyl]-2-ethylbutan-1-amine (CID 82925040) is N-[(2-chlorocyclohexyl)methyl]-2-ethylbutan-1-amine.
What is the SMILES notation for N-[(2-chlorocyclohexyl)methyl]-2-ethylbutan-1-amine?
The canonical SMILES for N-[(2-chlorocyclohexyl)methyl]-2-ethylbutan-1-amine is CCC(CC)CNCC1CCCCC1Cl.
What is the InChIKey of N-[(2-chlorocyclohexyl)methyl]-2-ethylbutan-1-amine?
The InChIKey is FEZTZOSWDCEFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26ClN/c1-3-11(4-2)9-15-10-12-7-5-6-8-13(12)14/h11-13,15H,3-10H2,1-2H3.
What are the key properties of N-[(2-chlorocyclohexyl)methyl]-2-ethylbutan-1-amine?
N-[(2-chlorocyclohexyl)methyl]-2-ethylbutan-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 N-[(2-chlorocyclohexyl)methyl]-2-ethylbutan-1-amine is sourced from PubChem (CID 82925040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).