3-[4-[4-(trifluoromethyl)cyclohexyl]cyclohex-3-en-1-yl]cyclohexan-1-amine

C19H30F3N — CID 129089871

IUPAC3-[4-[4-(trifluoromethyl)cyclohexyl]cyclohex-3-en-1-yl]cyclohexan-1-amine
SMILESNC1CCCC(C2CC=C(C3CCC(C(F)(F)F)CC3)CC2)C1
InChIInChI=1S/C19H30F3N/c20-19(21,22)17-10-8-14(9-11-17)13-4-6-15(7-5-13)16-2-1-3-18(23)12-16/h4,14-18H,1-3,5-12,23H2
InChIKeyQGGKEPZESBLAAX-UHFFFAOYSA-N
MW329.45 g/mol
LogP5.60
Rot. Bonds2

About 3-[4-[4-(trifluoromethyl)cyclohexyl]cyclohex-3-en-1-yl]cyclohexan-1-amine

3-[4-[4-(trifluoromethyl)cyclohexyl]cyclohex-3-en-1-yl]cyclohexan-1-amine (PubChem CID 129089871) has the molecular formula C19H30F3N and a molecular weight of 329.45 g/mol. Its IUPAC name is 3-[4-[4-(trifluoromethyl)cyclohexyl]cyclohex-3-en-1-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-[4-[4-(trifluoromethyl)cyclohexyl]cyclohex-3-en-1-yl]cyclohexan-1-amine
PubChem CID129089871
Molecular FormulaC19H30F3N
Molecular Weight329.45 g/mol
Exact Mass329.23
IUPAC Name3-[4-[4-(trifluoromethyl)cyclohexyl]cyclohex-3-en-1-yl]cyclohexan-1-amine
SMILESNC1CCCC(C2CC=C(C3CCC(C(F)(F)F)CC3)CC2)C1
InChIInChI=1S/C19H30F3N/c20-19(21,22)17-10-8-14(9-11-17)13-4-6-15(7-5-13)16-2-1-3-18(23)12-16/h4,14-18H,1-3,5-12,23H2
InChIKeyQGGKEPZESBLAAX-UHFFFAOYSA-N
XLogP5.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.45
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-[4-[4-(trifluoromethyl)cyclohexyl]cyclohex-3-en-1-yl]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

4-[2-(3,5-Difluorocyclohexen-1-yl)ethyl]cyclohexan-1-amine
CID 90382272
4-[2-(4,5-Difluorocyclohexen-1-yl)ethyl]cyclohexan-1-amine
CID 90382274
1-[4-[4-(2,2-Difluoroethenyl)cyclohexyl]cyclohexyl]propan-1-amine
CID 123744312
4-[(1R)-4-[4-(trifluoromethyl)cyclohexyl]cyclohex-3-en-1-yl]cyclohexan-1-amine
CID 129228622
4-[4-[(3Z,6E)-3-[(Z)-1,2-difluoroethenyl]octa-3,6-dienyl]cyclohexyl]cyclohexan-1-amine
CID 144405277
4-[4-(4-Fluorocyclohexa-1,5-dien-1-yl)cyclohexyl]cyclohexan-1-amine
CID 146303729
cis-(1R,3S)-3-[3-(1,1-difluoroprop-2-enyl)cyclohexen-1-yl]cyclohexan-1-amine
CID 147968810
3-Methyl-1-[4-(trifluoromethyl)cyclohexyl]but-2-en-1-amine
CID 105163485
3-(Cyclohexen-1-yl)-3-fluorocyclohexan-1-amine
CID 106655056
Cycloocten-1-yl-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 106656568
Cycloocten-1-yl-[3-(trifluoromethyl)cyclohexyl]methanamine
CID 106656633
Cycloocten-1-yl-(4,4-difluorocyclohexyl)methanamine
CID 106656886

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(trifluoromethyl)cyclohexyl]cyclohex-3-en-1-yl]cyclohexan-1-amine?
The IUPAC name of 3-[4-[4-(trifluoromethyl)cyclohexyl]cyclohex-3-en-1-yl]cyclohexan-1-amine (CID 129089871) is 3-[4-[4-(trifluoromethyl)cyclohexyl]cyclohex-3-en-1-yl]cyclohexan-1-amine.
What is the SMILES notation for 3-[4-[4-(trifluoromethyl)cyclohexyl]cyclohex-3-en-1-yl]cyclohexan-1-amine?
The canonical SMILES for 3-[4-[4-(trifluoromethyl)cyclohexyl]cyclohex-3-en-1-yl]cyclohexan-1-amine is NC1CCCC(C2CC=C(C3CCC(C(F)(F)F)CC3)CC2)C1.
What is the InChIKey of 3-[4-[4-(trifluoromethyl)cyclohexyl]cyclohex-3-en-1-yl]cyclohexan-1-amine?
The InChIKey is QGGKEPZESBLAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30F3N/c20-19(21,22)17-10-8-14(9-11-17)13-4-6-15(7-5-13)16-2-1-3-18(23)12-16/h4,14-18H,1-3,5-12,23H2.
What are the key properties of 3-[4-[4-(trifluoromethyl)cyclohexyl]cyclohex-3-en-1-yl]cyclohexan-1-amine?
3-[4-[4-(trifluoromethyl)cyclohexyl]cyclohex-3-en-1-yl]cyclohexan-1-amine has a molecular weight of 329.45 g/mol, XLogP of 5.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(trifluoromethyl)cyclohexyl]cyclohex-3-en-1-yl]cyclohexan-1-amine is sourced from PubChem (CID 129089871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).