6-(3,4-dimethyl-3-propan-2-ylpent-4-enyl)-5-(trifluoromethyl)-2,3-dihydropyridine

C16H24F3N — CID 153339001

IUPAC6-(3,4-dimethyl-3-propan-2-ylpent-4-enyl)-5-(trifluoromethyl)-2,3-dihydropyridine
SMILESC=C(C)C(C)(CCC1=NCCC=C1C(F)(F)F)C(C)C
InChIInChI=1S/C16H24F3N/c1-11(2)15(5,12(3)4)9-8-14-13(16(17,18)19)7-6-10-20-14/h7,12H,1,6,8-10H2,2-5H3
InChIKeyKBOMASXESFMACR-UHFFFAOYSA-N
MW287.37 g/mol
LogP5.34
Rot. Bonds5

About 6-(3,4-dimethyl-3-propan-2-ylpent-4-enyl)-5-(trifluoromethyl)-2,3-dihydropyridine

6-(3,4-dimethyl-3-propan-2-ylpent-4-enyl)-5-(trifluoromethyl)-2,3-dihydropyridine (PubChem CID 153339001) has the molecular formula C16H24F3N and a molecular weight of 287.37 g/mol. Its IUPAC name is 6-(3,4-dimethyl-3-propan-2-ylpent-4-enyl)-5-(trifluoromethyl)-2,3-dihydropyridine.

Molecular Properties

Compound Name6-(3,4-dimethyl-3-propan-2-ylpent-4-enyl)-5-(trifluoromethyl)-2,3-dihydropyridine
PubChem CID153339001
Molecular FormulaC16H24F3N
Molecular Weight287.37 g/mol
Exact Mass287.19
IUPAC Name6-(3,4-dimethyl-3-propan-2-ylpent-4-enyl)-5-(trifluoromethyl)-2,3-dihydropyridine
SMILESC=C(C)C(C)(CCC1=NCCC=C1C(F)(F)F)C(C)C
InChIInChI=1S/C16H24F3N/c1-11(2)15(5,12(3)4)9-8-14-13(16(17,18)19)7-6-10-20-14/h7,12H,1,6,8-10H2,2-5H3
InChIKeyKBOMASXESFMACR-UHFFFAOYSA-N
XLogP5.34
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.37
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-(3,4-dimethyl-3-propan-2-ylpent-4-enyl)-5-(trifluoromethyl)-2,3-dihydropyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5,5-trimethyl-N-(2,2,2-trifluoroethyl)cyclohex-2-en-1-imine
CID 70518262
6-(3,3-difluorobutyl)-4-[[1-[(4R)-4-methylcyclohexen-1-yl]cyclopropyl]methyl]-2,3,4,5-tetrahydropyridine
CID 89729057
(6Z)-6-ethylidene-4-fluoro-5-heptan-3-yl-N-methylcyclohex-2-en-1-imine
CID 123416100
N-methyl-1-[4-(trifluoromethyl)cyclohexen-1-yl]ethanimine
CID 123865859
4-methyl-7-[4-(trifluoromethyl)cyclohexen-1-yl]-4H-azepine
CID 123985591
1-[(5S)-4-ethyl-5-fluorocyclohex-3-en-1-yl]-N-methylethanimine
CID 126545859
1-(4,4-difluorocyclohexyl)-N-[(Z)-2,4-dimethylpent-2-enyl]-3-methylbut-2-en-1-imine
CID 129066469
2-methylpropane;(E)-1,1,1-trifluoro-N,5-dimethyl-4-(4-methylcyclohexyl)hex-3-en-2-imine
CID 168907083
(3S)-6-(4,4-difluorocyclohexen-1-yl)-3-methyl-2,3,4,5-tetrahydropyridine
CID 169114371
6-(4,4-Difluorocyclohexen-1-yl)-3-methyl-2,3,4,5-tetrahydropyridine
CID 169750390
3,5,5-trimethyl-N-(2-methylpropyl)cyclohex-2-en-1-imine
CID 70516911
1-[6-(2-fluoro-3-methylhex-4-en-3-yl)cyclohexa-1,3-dien-1-yl]-N-[(E)-2-fluoroprop-1-enyl]ethanimine
CID 142357536

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethyl-3-propan-2-ylpent-4-enyl)-5-(trifluoromethyl)-2,3-dihydropyridine?
The IUPAC name of 6-(3,4-dimethyl-3-propan-2-ylpent-4-enyl)-5-(trifluoromethyl)-2,3-dihydropyridine (CID 153339001) is 6-(3,4-dimethyl-3-propan-2-ylpent-4-enyl)-5-(trifluoromethyl)-2,3-dihydropyridine.
What is the SMILES notation for 6-(3,4-dimethyl-3-propan-2-ylpent-4-enyl)-5-(trifluoromethyl)-2,3-dihydropyridine?
The canonical SMILES for 6-(3,4-dimethyl-3-propan-2-ylpent-4-enyl)-5-(trifluoromethyl)-2,3-dihydropyridine is C=C(C)C(C)(CCC1=NCCC=C1C(F)(F)F)C(C)C.
What is the InChIKey of 6-(3,4-dimethyl-3-propan-2-ylpent-4-enyl)-5-(trifluoromethyl)-2,3-dihydropyridine?
The InChIKey is KBOMASXESFMACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3N/c1-11(2)15(5,12(3)4)9-8-14-13(16(17,18)19)7-6-10-20-14/h7,12H,1,6,8-10H2,2-5H3.
What are the key properties of 6-(3,4-dimethyl-3-propan-2-ylpent-4-enyl)-5-(trifluoromethyl)-2,3-dihydropyridine?
6-(3,4-dimethyl-3-propan-2-ylpent-4-enyl)-5-(trifluoromethyl)-2,3-dihydropyridine has a molecular weight of 287.37 g/mol, XLogP of 5.34, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethyl-3-propan-2-ylpent-4-enyl)-5-(trifluoromethyl)-2,3-dihydropyridine is sourced from PubChem (CID 153339001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).