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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(chloromethyl)-3-methylcyclohexyl]acetamide
CID 114303940
1-(chloromethyl)-3-methyl-N-(3,3,3-trifluoropropyl)cyclohexan-1-amine
CID 65030476
1-(chloromethyl)-3-methyl-N-octylcyclohexan-1-amine
CID 65029958
methyl 4-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-2-methylbut-2-enoate
CID 103248895
1-(chloromethyl)-3-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 65030300
1-(chloromethyl)-N-[2-(3-methoxypropoxy)ethyl]-3-methylcyclohexan-1-amine
CID 103183987
3-methyl-N,1-bis(prop-2-enyl)cyclohexan-1-amine
CID 4712374
1-(chloromethyl)-N-[(4-ethylphenyl)methyl]-3-methylcyclohexan-1-amine
CID 65029964
1-(chloromethyl)-N-[3-(2-methoxyethoxy)propyl]-3-methylcyclohexan-1-amine
CID 103413064
N-[(4-bromophenyl)methyl]-1-(chloromethyl)-3-methylcyclohexan-1-amine
CID 65030016
1-(chloromethyl)-3-methyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine
CID 65030471
1-(chloromethyl)-3-methyl-N-(2-phenylethyl)cyclohexan-1-amine
CID 65030361

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).