N-ethyl-1-[4-(trifluoromethyl)cyclohexyl]hex-5-en-1-amine

C15H26F3N — CID 105153112

IUPACN-ethyl-1-[4-(trifluoromethyl)cyclohexyl]hex-5-en-1-amine
SMILESC=CCCCC(NCC)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H26F3N/c1-3-5-6-7-14(19-4-2)12-8-10-13(11-9-12)15(16,17)18/h3,12-14,19H,1,4-11H2,2H3
InChIKeyPNVAGIXIYOUAQW-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.69
Rot. Bonds7

About N-ethyl-1-[4-(trifluoromethyl)cyclohexyl]hex-5-en-1-amine

N-ethyl-1-[4-(trifluoromethyl)cyclohexyl]hex-5-en-1-amine (PubChem CID 105153112) has the molecular formula C15H26F3N and a molecular weight of 277.37 g/mol. Its IUPAC name is N-ethyl-1-[4-(trifluoromethyl)cyclohexyl]hex-5-en-1-amine.

Molecular Properties

Compound NameN-ethyl-1-[4-(trifluoromethyl)cyclohexyl]hex-5-en-1-amine
PubChem CID105153112
Molecular FormulaC15H26F3N
Molecular Weight277.37 g/mol
Exact Mass277.20
IUPAC NameN-ethyl-1-[4-(trifluoromethyl)cyclohexyl]hex-5-en-1-amine
SMILESC=CCCCC(NCC)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C15H26F3N/c1-3-5-6-7-14(19-4-2)12-8-10-13(11-9-12)15(16,17)18/h3,12-14,19H,1,4-11H2,2H3
InChIKeyPNVAGIXIYOUAQW-UHFFFAOYSA-N
XLogP4.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[4-(trifluoromethyl)cyclohexyl]hex-5-en-1-amine?
The IUPAC name of N-ethyl-1-[4-(trifluoromethyl)cyclohexyl]hex-5-en-1-amine (CID 105153112) is N-ethyl-1-[4-(trifluoromethyl)cyclohexyl]hex-5-en-1-amine.
What is the SMILES notation for N-ethyl-1-[4-(trifluoromethyl)cyclohexyl]hex-5-en-1-amine?
The canonical SMILES for N-ethyl-1-[4-(trifluoromethyl)cyclohexyl]hex-5-en-1-amine is C=CCCCC(NCC)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-ethyl-1-[4-(trifluoromethyl)cyclohexyl]hex-5-en-1-amine?
The InChIKey is PNVAGIXIYOUAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3N/c1-3-5-6-7-14(19-4-2)12-8-10-13(11-9-12)15(16,17)18/h3,12-14,19H,1,4-11H2,2H3.
What are the key properties of N-ethyl-1-[4-(trifluoromethyl)cyclohexyl]hex-5-en-1-amine?
N-ethyl-1-[4-(trifluoromethyl)cyclohexyl]hex-5-en-1-amine has a molecular weight of 277.37 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[4-(trifluoromethyl)cyclohexyl]hex-5-en-1-amine is sourced from PubChem (CID 105153112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).