1-(cyclohexen-1-yl)-3,3,3-trifluoro-N-propylpropan-1-amine

C12H20F3N — CID 62078170

IUPAC1-(cyclohexen-1-yl)-3,3,3-trifluoro-N-propylpropan-1-amine
SMILESCCCNC(CC(F)(F)F)C1=CCCCC1
InChIInChI=1S/C12H20F3N/c1-2-8-16-11(9-12(13,14)15)10-6-4-3-5-7-10/h6,11,16H,2-5,7-9H2,1H3
InChIKeyRMBUKITZGWQJQX-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.81
Rot. Bonds5

About 1-(cyclohexen-1-yl)-3,3,3-trifluoro-N-propylpropan-1-amine

1-(cyclohexen-1-yl)-3,3,3-trifluoro-N-propylpropan-1-amine (PubChem CID 62078170) has the molecular formula C12H20F3N and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-3,3,3-trifluoro-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-3,3,3-trifluoro-N-propylpropan-1-amine
PubChem CID62078170
Molecular FormulaC12H20F3N
Molecular Weight235.29 g/mol
Exact Mass235.15
IUPAC Name1-(cyclohexen-1-yl)-3,3,3-trifluoro-N-propylpropan-1-amine
SMILESCCCNC(CC(F)(F)F)C1=CCCCC1
InChIInChI=1S/C12H20F3N/c1-2-8-16-11(9-12(13,14)15)10-6-4-3-5-7-10/h6,11,16H,2-5,7-9H2,1H3
InChIKeyRMBUKITZGWQJQX-UHFFFAOYSA-N
XLogP3.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(cyclohexen-1-yl)-2-cyclopentylethyl]propan-1-amine
CID 63505316
N-[1-(cyclopenten-1-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 103207516
N-[1-(cyclohepten-1-yl)-2-(cyclohexen-1-yl)ethyl]propan-1-amine
CID 106654416
N-[1-(cyclohepten-1-yl)-2-(2-methylpropylsulfanyl)ethyl]propan-1-amine
CID 106653153
1-(cyclohepten-1-yl)-2,2,3,3,3-pentafluoro-N-propylpropan-1-amine
CID 55195514
N-[1-(cyclopenten-1-yl)-2-cyclopropylethyl]propan-1-amine
CID 62079426
N-[2-cyclobutyl-1-(cyclopenten-1-yl)ethyl]propan-1-amine
CID 103163068
1-(cyclopenten-1-yl)-3-cyclopentyl-N-propylpropan-1-amine
CID 55196271
N-[1-(cycloocten-1-yl)-2-cyclopentylsulfanylethyl]propan-1-amine
CID 106653177
N-[1-(cyclohexen-1-yl)-2-(oxolan-3-yl)ethyl]propan-1-amine
CID 106654323
1-(cycloocten-1-yl)-3-(2,2-difluoroethoxy)-N-propylpropan-1-amine
CID 106654804
N-[1-(cyclohepten-1-yl)-2-phenoxyethyl]propan-1-amine
CID 106652812

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-3,3,3-trifluoro-N-propylpropan-1-amine?
The IUPAC name of 1-(cyclohexen-1-yl)-3,3,3-trifluoro-N-propylpropan-1-amine (CID 62078170) is 1-(cyclohexen-1-yl)-3,3,3-trifluoro-N-propylpropan-1-amine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-3,3,3-trifluoro-N-propylpropan-1-amine?
The canonical SMILES for 1-(cyclohexen-1-yl)-3,3,3-trifluoro-N-propylpropan-1-amine is CCCNC(CC(F)(F)F)C1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-3,3,3-trifluoro-N-propylpropan-1-amine?
The InChIKey is RMBUKITZGWQJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N/c1-2-8-16-11(9-12(13,14)15)10-6-4-3-5-7-10/h6,11,16H,2-5,7-9H2,1H3.
What are the key properties of 1-(cyclohexen-1-yl)-3,3,3-trifluoro-N-propylpropan-1-amine?
1-(cyclohexen-1-yl)-3,3,3-trifluoro-N-propylpropan-1-amine has a molecular weight of 235.29 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-3,3,3-trifluoro-N-propylpropan-1-amine is sourced from PubChem (CID 62078170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).