3-methyl-N-propyl-1-[2-(trifluoromethyl)cyclohexyl]but-2-en-1-amine

C15H26F3N — CID 105163420

IUPAC3-methyl-N-propyl-1-[2-(trifluoromethyl)cyclohexyl]but-2-en-1-amine
SMILESCCCNC(C=C(C)C)C1CCCCC1C(F)(F)F
InChIInChI=1S/C15H26F3N/c1-4-9-19-14(10-11(2)3)12-7-5-6-8-13(12)15(16,17)18/h10,12-14,19H,4-9H2,1-3H3
InChIKeyHVYYSVNTAHNKEY-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.69
Rot. Bonds5

About 3-methyl-N-propyl-1-[2-(trifluoromethyl)cyclohexyl]but-2-en-1-amine

3-methyl-N-propyl-1-[2-(trifluoromethyl)cyclohexyl]but-2-en-1-amine (PubChem CID 105163420) has the molecular formula C15H26F3N and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-methyl-N-propyl-1-[2-(trifluoromethyl)cyclohexyl]but-2-en-1-amine.

Molecular Properties

Compound Name3-methyl-N-propyl-1-[2-(trifluoromethyl)cyclohexyl]but-2-en-1-amine
PubChem CID105163420
Molecular FormulaC15H26F3N
Molecular Weight277.37 g/mol
Exact Mass277.20
IUPAC Name3-methyl-N-propyl-1-[2-(trifluoromethyl)cyclohexyl]but-2-en-1-amine
SMILESCCCNC(C=C(C)C)C1CCCCC1C(F)(F)F
InChIInChI=1S/C15H26F3N/c1-4-9-19-14(10-11(2)3)12-7-5-6-8-13(12)15(16,17)18/h10,12-14,19H,4-9H2,1-3H3
InChIKeyHVYYSVNTAHNKEY-UHFFFAOYSA-N
XLogP4.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[(1R)-4-methylcyclohex-3-en-1-yl]-N-propan-2-ylbutan-1-amine
CID 46886826
N-[(E,2S)-3-[(2R)-2-ethyl-5-fluorocyclohexyl]pent-3-en-2-yl]-4-methylcyclohexan-1-amine
CID 68341249
N-[1-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethyl]propan-1-amine
CID 70842357
6-(1,1-Difluoroethyl)-4-propan-2-yl-1,2,3,6-tetrahydropyridine
CID 118357208
6-(4-Fluoro-5-methylcyclohex-2-en-1-yl)-5-methyl-1,2,3,6-tetrahydropyridine
CID 118448092
3-ethylidene-5-methyl-4-prop-1-enyl-N-[4-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]butyl]hepta-4,6-dien-2-amine
CID 123464797
1-cyclohex-3-en-1-yl-N-(2-fluoroethyl)propan-2-amine
CID 129045764
2-[(E)-7,7-difluoro-5-methylhept-2-en-3-yl]-3,5,6-trimethyl-1,2,3,4-tetrahydropyridine
CID 137400808
3-fluoro-4-propan-2-yl-2-[(Z)-prop-1-enyl]-1,2,3,6-tetrahydropyridine
CID 138655203
6-(4-Fluoro-6-methylcyclohept-2-en-1-yl)-5-methyl-1,2,3,6-tetrahydropyridine
CID 139453704
6-[(5S)-4-fluoro-5-methylcyclohex-2-en-1-yl]-5-methyl-1,2,3,6-tetrahydropyridine
CID 139453705
2,6-difluoro-N-[3-[6-(4-fluoro-2-methylcyclohexyl)-2-methyl-4-propan-2-ylcyclohexen-1-yl]propyl]cyclohex-2-en-1-amine
CID 142802718

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-propyl-1-[2-(trifluoromethyl)cyclohexyl]but-2-en-1-amine?
The IUPAC name of 3-methyl-N-propyl-1-[2-(trifluoromethyl)cyclohexyl]but-2-en-1-amine (CID 105163420) is 3-methyl-N-propyl-1-[2-(trifluoromethyl)cyclohexyl]but-2-en-1-amine.
What is the SMILES notation for 3-methyl-N-propyl-1-[2-(trifluoromethyl)cyclohexyl]but-2-en-1-amine?
The canonical SMILES for 3-methyl-N-propyl-1-[2-(trifluoromethyl)cyclohexyl]but-2-en-1-amine is CCCNC(C=C(C)C)C1CCCCC1C(F)(F)F.
What is the InChIKey of 3-methyl-N-propyl-1-[2-(trifluoromethyl)cyclohexyl]but-2-en-1-amine?
The InChIKey is HVYYSVNTAHNKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3N/c1-4-9-19-14(10-11(2)3)12-7-5-6-8-13(12)15(16,17)18/h10,12-14,19H,4-9H2,1-3H3.
What are the key properties of 3-methyl-N-propyl-1-[2-(trifluoromethyl)cyclohexyl]but-2-en-1-amine?
3-methyl-N-propyl-1-[2-(trifluoromethyl)cyclohexyl]but-2-en-1-amine has a molecular weight of 277.37 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propyl-1-[2-(trifluoromethyl)cyclohexyl]but-2-en-1-amine is sourced from PubChem (CID 105163420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).