N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine

C16H26F3N — CID 103276421

IUPACN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCC1=CC(C)CC(CNC2CCC(C(F)(F)F)CC2)C1
InChIInChI=1S/C16H26F3N/c1-11-7-12(2)9-13(8-11)10-20-15-5-3-14(4-6-15)16(17,18)19/h7,11,13-15,20H,3-6,8-10H2,1-2H3
InChIKeyWLOMLQLYBMGGGV-UHFFFAOYSA-N
MW289.38 g/mol
LogP4.69
Rot. Bonds3

About N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine

N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 103276421) has the molecular formula C16H26F3N and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID103276421
Molecular FormulaC16H26F3N
Molecular Weight289.38 g/mol
Exact Mass289.20
IUPAC NameN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCC1=CC(C)CC(CNC2CCC(C(F)(F)F)CC2)C1
InChIInChI=1S/C16H26F3N/c1-11-7-12(2)9-13(8-11)10-20-15-5-3-14(4-6-15)16(17,18)19/h7,11,13-15,20H,3-6,8-10H2,1-2H3
InChIKeyWLOMLQLYBMGGGV-UHFFFAOYSA-N
XLogP4.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-4-(trifluoromethyl)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

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine (CID 103276421) is N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine is CC1=CC(C)CC(CNC2CCC(C(F)(F)F)CC2)C1.
What is the InChIKey of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is WLOMLQLYBMGGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F3N/c1-11-7-12(2)9-13(8-11)10-20-15-5-3-14(4-6-15)16(17,18)19/h7,11,13-15,20H,3-6,8-10H2,1-2H3.
What are the key properties of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 289.38 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 103276421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).