1-(chloromethyl)-3-methyl-N-(3-methylbut-2-enyl)cyclohexan-1-amine

C13H24ClN — CID 107901067

IUPAC1-(chloromethyl)-3-methyl-N-(3-methylbut-2-enyl)cyclohexan-1-amine
SMILESCC(C)=CCNC1(CCl)CCCC(C)C1
InChIInChI=1S/C13H24ClN/c1-11(2)6-8-15-13(10-14)7-4-5-12(3)9-13/h6,12,15H,4-5,7-10H2,1-3H3
InChIKeyMARDBUATMZBZCF-UHFFFAOYSA-N
MW229.79 g/mol
LogP3.73
Rot. Bonds4

About 1-(chloromethyl)-3-methyl-N-(3-methylbut-2-enyl)cyclohexan-1-amine

1-(chloromethyl)-3-methyl-N-(3-methylbut-2-enyl)cyclohexan-1-amine (PubChem CID 107901067) has the molecular formula C13H24ClN and a molecular weight of 229.79 g/mol. Its IUPAC name is 1-(chloromethyl)-3-methyl-N-(3-methylbut-2-enyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(chloromethyl)-3-methyl-N-(3-methylbut-2-enyl)cyclohexan-1-amine
PubChem CID107901067
Molecular FormulaC13H24ClN
Molecular Weight229.79 g/mol
Exact Mass229.16
IUPAC Name1-(chloromethyl)-3-methyl-N-(3-methylbut-2-enyl)cyclohexan-1-amine
SMILESCC(C)=CCNC1(CCl)CCCC(C)C1
InChIInChI=1S/C13H24ClN/c1-11(2)6-8-15-13(10-14)7-4-5-12(3)9-13/h6,12,15H,4-5,7-10H2,1-3H3
InChIKeyMARDBUATMZBZCF-UHFFFAOYSA-N
XLogP3.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.79
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(chloromethyl)-3-methyl-N-pentylcyclohexan-1-amine
CID 65024456
1-(chloromethyl)-N-prop-2-enylcyclohexan-1-amine
CID 65024884
N-butyl-1-(chloromethyl)-3-methylcyclohexan-1-amine
CID 65025217
1-(chloromethyl)-N-ethyl-3-methylcyclohexan-1-amine
CID 65029674
1-(chloromethyl)-3-methyl-N-(2-methylpropyl)cyclohexan-1-amine
CID 65029734
1-(chloromethyl)-3-methyl-N-prop-2-enylcyclohexan-1-amine
CID 65029736
1-(chloromethyl)-3-methyl-N-(2-methylbutyl)cyclohexan-1-amine
CID 65029785
1-(chloromethyl)-3-methyl-N-(2-methylpentyl)cyclohexan-1-amine
CID 65029909
1-(chloromethyl)-4-methyl-N-prop-2-enylcyclohexan-1-amine
CID 65030199
1-(chloromethyl)-3-methyl-N-(3-methylbutyl)cyclohexan-1-amine
CID 65030303
1-(chloromethyl)-3-methyl-N-propylcyclohexan-1-amine
CID 65030306
1-(chloromethyl)-N-heptyl-3-methylcyclohexan-1-amine
CID 65030477

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-3-methyl-N-(3-methylbut-2-enyl)cyclohexan-1-amine?
The IUPAC name of 1-(chloromethyl)-3-methyl-N-(3-methylbut-2-enyl)cyclohexan-1-amine (CID 107901067) is 1-(chloromethyl)-3-methyl-N-(3-methylbut-2-enyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(chloromethyl)-3-methyl-N-(3-methylbut-2-enyl)cyclohexan-1-amine?
The canonical SMILES for 1-(chloromethyl)-3-methyl-N-(3-methylbut-2-enyl)cyclohexan-1-amine is CC(C)=CCNC1(CCl)CCCC(C)C1.
What is the InChIKey of 1-(chloromethyl)-3-methyl-N-(3-methylbut-2-enyl)cyclohexan-1-amine?
The InChIKey is MARDBUATMZBZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClN/c1-11(2)6-8-15-13(10-14)7-4-5-12(3)9-13/h6,12,15H,4-5,7-10H2,1-3H3.
What are the key properties of 1-(chloromethyl)-3-methyl-N-(3-methylbut-2-enyl)cyclohexan-1-amine?
1-(chloromethyl)-3-methyl-N-(3-methylbut-2-enyl)cyclohexan-1-amine has a molecular weight of 229.79 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-3-methyl-N-(3-methylbut-2-enyl)cyclohexan-1-amine is sourced from PubChem (CID 107901067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).