N-ethyl-1-[2-(trifluoromethyl)cyclohexyl]oct-7-en-1-amine

C17H30F3N — CID 107011407

IUPACN-ethyl-1-[2-(trifluoromethyl)cyclohexyl]oct-7-en-1-amine
SMILESC=CCCCCCC(NCC)C1CCCCC1C(F)(F)F
InChIInChI=1S/C17H30F3N/c1-3-5-6-7-8-13-16(21-4-2)14-11-9-10-12-15(14)17(18,19)20/h3,14-16,21H,1,4-13H2,2H3
InChIKeyJJXMRMZROYEZMB-UHFFFAOYSA-N
MW305.43 g/mol
LogP5.47
Rot. Bonds9

About N-ethyl-1-[2-(trifluoromethyl)cyclohexyl]oct-7-en-1-amine

N-ethyl-1-[2-(trifluoromethyl)cyclohexyl]oct-7-en-1-amine (PubChem CID 107011407) has the molecular formula C17H30F3N and a molecular weight of 305.43 g/mol. Its IUPAC name is N-ethyl-1-[2-(trifluoromethyl)cyclohexyl]oct-7-en-1-amine.

Molecular Properties

Compound NameN-ethyl-1-[2-(trifluoromethyl)cyclohexyl]oct-7-en-1-amine
PubChem CID107011407
Molecular FormulaC17H30F3N
Molecular Weight305.43 g/mol
Exact Mass305.23
IUPAC NameN-ethyl-1-[2-(trifluoromethyl)cyclohexyl]oct-7-en-1-amine
SMILESC=CCCCCCC(NCC)C1CCCCC1C(F)(F)F
InChIInChI=1S/C17H30F3N/c1-3-5-6-7-8-13-16(21-4-2)14-11-9-10-12-15(14)17(18,19)20/h3,14-16,21H,1,4-13H2,2H3
InChIKeyJJXMRMZROYEZMB-UHFFFAOYSA-N
XLogP5.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.43
LogP ≤ 55.47
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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Related Compounds

N-ethyl-1-[2-(trifluoromethyl)cyclohexyl]pent-4-en-1-amine
CID 105153388
1-[2-(trifluoromethyl)cyclohexyl]hex-5-enylhydrazine
CID 105311422
N-ethyl-1-[2-(trifluoromethyl)cyclohexyl]hex-5-yn-1-amine
CID 105179551
N-propyl-1-[2-(trifluoromethyl)cyclohexyl]pentan-1-amine
CID 105125593
N-methyl-1-[2-(trifluoromethyl)cyclohexyl]but-3-en-1-amine
CID 105108665
N-ethyl-1-(thiolan-3-yl)oct-7-en-1-amine
CID 107011890
N-ethyl-1-(3-ethylcyclohexyl)oct-7-en-1-amine
CID 107009239
1-cyclohexyl-N-ethylnon-8-en-2-amine
CID 107011937
N-ethyl-2-propan-2-yloxy-1-[2-(trifluoromethyl)cyclohexyl]ethanamine
CID 105168105
1-cyclohexyl-N-methyloct-7-en-1-amine
CID 107008890
N-ethyl-2-phenyl-1-[2-(trifluoromethyl)cyclohexyl]ethanamine
CID 104622288
N-ethyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)oct-7-en-1-amine
CID 107011322

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[2-(trifluoromethyl)cyclohexyl]oct-7-en-1-amine?
The IUPAC name of N-ethyl-1-[2-(trifluoromethyl)cyclohexyl]oct-7-en-1-amine (CID 107011407) is N-ethyl-1-[2-(trifluoromethyl)cyclohexyl]oct-7-en-1-amine.
What is the SMILES notation for N-ethyl-1-[2-(trifluoromethyl)cyclohexyl]oct-7-en-1-amine?
The canonical SMILES for N-ethyl-1-[2-(trifluoromethyl)cyclohexyl]oct-7-en-1-amine is C=CCCCCCC(NCC)C1CCCCC1C(F)(F)F.
What is the InChIKey of N-ethyl-1-[2-(trifluoromethyl)cyclohexyl]oct-7-en-1-amine?
The InChIKey is JJXMRMZROYEZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30F3N/c1-3-5-6-7-8-13-16(21-4-2)14-11-9-10-12-15(14)17(18,19)20/h3,14-16,21H,1,4-13H2,2H3.
What are the key properties of N-ethyl-1-[2-(trifluoromethyl)cyclohexyl]oct-7-en-1-amine?
N-ethyl-1-[2-(trifluoromethyl)cyclohexyl]oct-7-en-1-amine has a molecular weight of 305.43 g/mol, XLogP of 5.47, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[2-(trifluoromethyl)cyclohexyl]oct-7-en-1-amine is sourced from PubChem (CID 107011407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).