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'}

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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).