[4,4-dimethyl-2-(2-methylidenebutyl)cyclohexyl]methanamine

C14H27N — CID 81011756

IUPAC[4,4-dimethyl-2-(2-methylidenebutyl)cyclohexyl]methanamine
SMILESC=C(CC)CC1CC(C)(C)CCC1CN
InChIInChI=1S/C14H27N/c1-5-11(2)8-13-9-14(3,4)7-6-12(13)10-15/h12-13H,2,5-10,15H2,1,3-4H3
InChIKeyDBZRZIRSYMSEOC-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.74
Rot. Bonds4

About [4,4-dimethyl-2-(2-methylidenebutyl)cyclohexyl]methanamine

[4,4-dimethyl-2-(2-methylidenebutyl)cyclohexyl]methanamine (PubChem CID 81011756) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is [4,4-dimethyl-2-(2-methylidenebutyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4,4-dimethyl-2-(2-methylidenebutyl)cyclohexyl]methanamine
PubChem CID81011756
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name[4,4-dimethyl-2-(2-methylidenebutyl)cyclohexyl]methanamine
SMILESC=C(CC)CC1CC(C)(C)CCC1CN
InChIInChI=1S/C14H27N/c1-5-11(2)8-13-9-14(3,4)7-6-12(13)10-15/h12-13H,2,5-10,15H2,1,3-4H3
InChIKeyDBZRZIRSYMSEOC-UHFFFAOYSA-N
XLogP3.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [4,4-dimethyl-2-(2-methylidenebutyl)cyclohexyl]methanamine 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

[4-ethyl-2-(2-methylidenebutyl)cyclohexyl]methanamine
CID 81012662
[2-(3-ethylsulfonylpropyl)-4,4-dimethylcyclohexyl]methanamine
CID 81011249
[2-(3-methoxypropyl)-4,4-dimethylcyclohexyl]methanamine
CID 81012391
[4,4-dimethyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine
CID 116628135
[2-[(4-bromophenyl)methyl]-4,4-dimethylcyclohexyl]methanamine
CID 81011643
[4,4-dimethyl-2-[(1-methyltriazol-4-yl)methyl]cyclohexyl]methanamine
CID 107059071
4,4-dimethyl-N-(2-methylidenebutyl)cyclohexan-1-amine
CID 66047133
[2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4,4-dimethylcyclohexyl]methanamine
CID 81012067
[4,4-dimethyl-2-(2-phenylsulfanylethyl)cyclohexyl]methanamine
CID 81012156
[1-(4,4-dimethylcyclohexyl)-3-methylidenepentyl]hydrazine
CID 105231836
[2-[(2-bromo-5-fluorophenyl)methyl]-4,4-dimethylcyclohexyl]methanamine
CID 81012625
[2-[(3-bromo-5-fluorophenyl)methyl]-4,4-dimethylcyclohexyl]methanamine
CID 81011754

Frequently Asked Questions

What is the IUPAC name of [4,4-dimethyl-2-(2-methylidenebutyl)cyclohexyl]methanamine?
The IUPAC name of [4,4-dimethyl-2-(2-methylidenebutyl)cyclohexyl]methanamine (CID 81011756) is [4,4-dimethyl-2-(2-methylidenebutyl)cyclohexyl]methanamine.
What is the SMILES notation for [4,4-dimethyl-2-(2-methylidenebutyl)cyclohexyl]methanamine?
The canonical SMILES for [4,4-dimethyl-2-(2-methylidenebutyl)cyclohexyl]methanamine is C=C(CC)CC1CC(C)(C)CCC1CN.
What is the InChIKey of [4,4-dimethyl-2-(2-methylidenebutyl)cyclohexyl]methanamine?
The InChIKey is DBZRZIRSYMSEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-5-11(2)8-13-9-14(3,4)7-6-12(13)10-15/h12-13H,2,5-10,15H2,1,3-4H3.
What are the key properties of [4,4-dimethyl-2-(2-methylidenebutyl)cyclohexyl]methanamine?
[4,4-dimethyl-2-(2-methylidenebutyl)cyclohexyl]methanamine has a molecular weight of 209.38 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4,4-dimethyl-2-(2-methylidenebutyl)cyclohexyl]methanamine is sourced from PubChem (CID 81011756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).