N-[2-(cyclohexen-1-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine

C15H24F3N — CID 64754436

IUPACN-[2-(cyclohexen-1-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C1CCC(NCCC2=CCCCC2)CC1
InChIInChI=1S/C15H24F3N/c16-15(17,18)13-6-8-14(9-7-13)19-11-10-12-4-2-1-3-5-12/h4,13-14,19H,1-3,5-11H2
InChIKeyWMOGHFFXWBIMHK-UHFFFAOYSA-N
MW275.36 g/mol
LogP4.59
Rot. Bonds4

About N-[2-(cyclohexen-1-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine

N-[2-(cyclohexen-1-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64754436) has the molecular formula C15H24F3N and a molecular weight of 275.36 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64754436
Molecular FormulaC15H24F3N
Molecular Weight275.36 g/mol
Exact Mass275.19
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESFC(F)(F)C1CCC(NCCC2=CCCCC2)CC1
InChIInChI=1S/C15H24F3N/c16-15(17,18)13-6-8-14(9-7-13)19-11-10-12-4-2-1-3-5-12/h4,13-14,19H,1-3,5-11H2
InChIKeyWMOGHFFXWBIMHK-UHFFFAOYSA-N
XLogP4.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 54.59
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 N-[2-(cyclohexen-1-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine (CID 64754436) is N-[2-(cyclohexen-1-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine is FC(F)(F)C1CCC(NCCC2=CCCCC2)CC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is WMOGHFFXWBIMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3N/c16-15(17,18)13-6-8-14(9-7-13)19-11-10-12-4-2-1-3-5-12/h4,13-14,19H,1-3,5-11H2.
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine?
N-[2-(cyclohexen-1-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 275.36 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64754436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).