N-cyclohexyl-10-methyl-6-methylidene-3-(trifluoromethyl)undec-9-en-2-imine

C20H32F3N — CID 162565601

IUPACN-cyclohexyl-10-methyl-6-methylidene-3-(trifluoromethyl)undec-9-en-2-imine
SMILESC=C(CCC=C(C)C)CCC(/C(C)=N/C1CCCCC1)C(F)(F)F
InChIInChI=1S/C20H32F3N/c1-15(2)9-8-10-16(3)13-14-19(20(21,22)23)17(4)24-18-11-6-5-7-12-18/h9,18-19H,3,5-8,10-14H2,1-2,4H3/b24-17+
InChIKeyKMECWHZZORVHDR-JJIBRWJFSA-N
MW343.48 g/mol
LogP7.04
Rot. Bonds8

About N-cyclohexyl-10-methyl-6-methylidene-3-(trifluoromethyl)undec-9-en-2-imine

N-cyclohexyl-10-methyl-6-methylidene-3-(trifluoromethyl)undec-9-en-2-imine (PubChem CID 162565601) has the molecular formula C20H32F3N and a molecular weight of 343.48 g/mol. Its IUPAC name is N-cyclohexyl-10-methyl-6-methylidene-3-(trifluoromethyl)undec-9-en-2-imine.

Molecular Properties

Compound NameN-cyclohexyl-10-methyl-6-methylidene-3-(trifluoromethyl)undec-9-en-2-imine
PubChem CID162565601
Molecular FormulaC20H32F3N
Molecular Weight343.48 g/mol
Exact Mass343.25
IUPAC NameN-cyclohexyl-10-methyl-6-methylidene-3-(trifluoromethyl)undec-9-en-2-imine
SMILESC=C(CCC=C(C)C)CCC(/C(C)=N/C1CCCCC1)C(F)(F)F
InChIInChI=1S/C20H32F3N/c1-15(2)9-8-10-16(3)13-14-19(20(21,22)23)17(4)24-18-11-6-5-7-12-18/h9,18-19H,3,5-8,10-14H2,1-2,4H3/b24-17+
InChIKeyKMECWHZZORVHDR-JJIBRWJFSA-N
XLogP7.04
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.48
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-(3,3-difluorobutyl)-4-[[1-[(4R)-4-methylcyclohexen-1-yl]cyclopropyl]methyl]-2,3,4,5-tetrahydropyridine
CID 89729057
(2R)-5-cyclopropyl-3-ethyl-6-[(4R)-4-fluorocyclohexen-1-yl]-2-methyl-2,3,4,5-tetrahydropyridine
CID 118018671
1-(4,4-difluorocyclohexyl)-N-[(Z)-2,4-dimethylpent-2-enyl]-3-methylbut-2-en-1-imine
CID 129066469
(E)-5-fluoro-N,4-dimethyl-3-[4-[(E)-pent-2-enyl]-2-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]-2,3,4,5-tetrahydropyridin-6-yl]pent-2-en-1-imine
CID 129171318
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
(E)-N-[(4R)-2,7-dimethyloctan-4-yl]-3-fluoro-3-methylhex-4-en-2-imine
CID 170616648
(E)-5,5-difluoro-3-methyl-N-(2-methyl-3-pentylcyclohexen-1-yl)hex-3-en-2-imine;ethane
CID 170647063
6-(3,4-Dimethyl-3-propan-2-ylpent-4-enyl)-5-(trifluoromethyl)-2,3-dihydropyridine
CID 153339001
N-cyclohexyl-6-methyl-3-(trifluoromethyl)hept-5-en-2-imine
CID 162565603
(E)-5,5-difluoro-3-methyl-N-(2-methyl-3-pentylcyclohexen-1-yl)hex-3-en-2-imine
CID 170647064

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-10-methyl-6-methylidene-3-(trifluoromethyl)undec-9-en-2-imine?
The IUPAC name of N-cyclohexyl-10-methyl-6-methylidene-3-(trifluoromethyl)undec-9-en-2-imine (CID 162565601) is N-cyclohexyl-10-methyl-6-methylidene-3-(trifluoromethyl)undec-9-en-2-imine.
What is the SMILES notation for N-cyclohexyl-10-methyl-6-methylidene-3-(trifluoromethyl)undec-9-en-2-imine?
The canonical SMILES for N-cyclohexyl-10-methyl-6-methylidene-3-(trifluoromethyl)undec-9-en-2-imine is C=C(CCC=C(C)C)CCC(/C(C)=N/C1CCCCC1)C(F)(F)F.
What is the InChIKey of N-cyclohexyl-10-methyl-6-methylidene-3-(trifluoromethyl)undec-9-en-2-imine?
The InChIKey is KMECWHZZORVHDR-JJIBRWJFSA-N. The full InChI is InChI=1S/C20H32F3N/c1-15(2)9-8-10-16(3)13-14-19(20(21,22)23)17(4)24-18-11-6-5-7-12-18/h9,18-19H,3,5-8,10-14H2,1-2,4H3/b24-17+.
What are the key properties of N-cyclohexyl-10-methyl-6-methylidene-3-(trifluoromethyl)undec-9-en-2-imine?
N-cyclohexyl-10-methyl-6-methylidene-3-(trifluoromethyl)undec-9-en-2-imine has a molecular weight of 343.48 g/mol, XLogP of 7.04, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-10-methyl-6-methylidene-3-(trifluoromethyl)undec-9-en-2-imine is sourced from PubChem (CID 162565601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).