N-ethyl-1-[2-(trifluoromethyl)cyclohexyl]hex-5-yn-1-amine

C15H24F3N — CID 105179551

IUPACN-ethyl-1-[2-(trifluoromethyl)cyclohexyl]hex-5-yn-1-amine
SMILESC#CCCCC(NCC)C1CCCCC1C(F)(F)F
InChIInChI=1S/C15H24F3N/c1-3-5-6-11-14(19-4-2)12-9-7-8-10-13(12)15(16,17)18/h1,12-14,19H,4-11H2,2H3
InChIKeyOWUGGFJBVQXYCD-UHFFFAOYSA-N
MW275.36 g/mol
LogP4.14
Rot. Bonds6

About N-ethyl-1-[2-(trifluoromethyl)cyclohexyl]hex-5-yn-1-amine

N-ethyl-1-[2-(trifluoromethyl)cyclohexyl]hex-5-yn-1-amine (PubChem CID 105179551) has the molecular formula C15H24F3N and a molecular weight of 275.36 g/mol. Its IUPAC name is N-ethyl-1-[2-(trifluoromethyl)cyclohexyl]hex-5-yn-1-amine.

Molecular Properties

Compound NameN-ethyl-1-[2-(trifluoromethyl)cyclohexyl]hex-5-yn-1-amine
PubChem CID105179551
Molecular FormulaC15H24F3N
Molecular Weight275.36 g/mol
Exact Mass275.19
IUPAC NameN-ethyl-1-[2-(trifluoromethyl)cyclohexyl]hex-5-yn-1-amine
SMILESC#CCCCC(NCC)C1CCCCC1C(F)(F)F
InChIInChI=1S/C15H24F3N/c1-3-5-6-11-14(19-4-2)12-9-7-8-10-13(12)15(16,17)18/h1,12-14,19H,4-11H2,2H3
InChIKeyOWUGGFJBVQXYCD-UHFFFAOYSA-N
XLogP4.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1-[2-(trifluoromethyl)cyclohexyl]oct-7-en-1-amine
CID 107011407
1-[2-(trifluoromethyl)cyclohexyl]hex-5-yn-1-ol
CID 105124670
N-ethyl-1-[2-(trifluoromethyl)cyclohexyl]pent-4-en-1-amine
CID 105153388
N-propyl-1-[2-(trifluoromethyl)cyclohexyl]pentan-1-amine
CID 105125593
N-ethyl-2-propan-2-yloxy-1-[2-(trifluoromethyl)cyclohexyl]ethanamine
CID 105168105
N-ethyl-2-phenyl-1-[2-(trifluoromethyl)cyclohexyl]ethanamine
CID 104622288
N-ethyl-1-(3-ethylcyclohexyl)hex-5-yn-1-amine
CID 113374324
N-propyl-1-[2-(trifluoromethyl)cyclohexyl]propan-1-amine
CID 105078920
N-propyl-1-[3-(trifluoromethyl)cyclohexyl]hex-5-yn-1-amine
CID 105179553
N-ethyl-2-methyl-1-[2-(trifluoromethyl)cyclohexyl]pentan-1-amine
CID 107893991
1-cyclobutyl-N-ethylpent-4-yn-1-amine
CID 64987162
3-methyl-N-propyl-1-[2-(trifluoromethyl)cyclohexyl]hexan-1-amine
CID 105138024

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[2-(trifluoromethyl)cyclohexyl]hex-5-yn-1-amine?
The IUPAC name of N-ethyl-1-[2-(trifluoromethyl)cyclohexyl]hex-5-yn-1-amine (CID 105179551) is N-ethyl-1-[2-(trifluoromethyl)cyclohexyl]hex-5-yn-1-amine.
What is the SMILES notation for N-ethyl-1-[2-(trifluoromethyl)cyclohexyl]hex-5-yn-1-amine?
The canonical SMILES for N-ethyl-1-[2-(trifluoromethyl)cyclohexyl]hex-5-yn-1-amine is C#CCCCC(NCC)C1CCCCC1C(F)(F)F.
What is the InChIKey of N-ethyl-1-[2-(trifluoromethyl)cyclohexyl]hex-5-yn-1-amine?
The InChIKey is OWUGGFJBVQXYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3N/c1-3-5-6-11-14(19-4-2)12-9-7-8-10-13(12)15(16,17)18/h1,12-14,19H,4-11H2,2H3.
What are the key properties of N-ethyl-1-[2-(trifluoromethyl)cyclohexyl]hex-5-yn-1-amine?
N-ethyl-1-[2-(trifluoromethyl)cyclohexyl]hex-5-yn-1-amine has a molecular weight of 275.36 g/mol, XLogP of 4.14, 6 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]hex-5-yn-1-amine is sourced from PubChem (CID 105179551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).