(Z)-3-[5-(1,1-difluoroethyl)-5-methylcyclohexen-1-yl]-N-methyldec-2-en-1-imine

C20H33F2N — CID 134305891

IUPAC(Z)-3-[5-(1,1-difluoroethyl)-5-methylcyclohexen-1-yl]-N-methyldec-2-en-1-imine
SMILESCCCCCCC/C(=C/C=N/C)C1=CCCC(C)(C(C)(F)F)C1
InChIInChI=1S/C20H33F2N/c1-5-6-7-8-9-11-17(13-15-23-4)18-12-10-14-19(2,16-18)20(3,21)22/h12-13,15H,5-11,14,16H2,1-4H3/b17-13-,23-15+
InChIKeyCRECVYLLCPLCDL-BWLYTCHZSA-N
MW325.49 g/mol
LogP6.75
Rot. Bonds9

About (Z)-3-[5-(1,1-difluoroethyl)-5-methylcyclohexen-1-yl]-N-methyldec-2-en-1-imine

(Z)-3-[5-(1,1-difluoroethyl)-5-methylcyclohexen-1-yl]-N-methyldec-2-en-1-imine (PubChem CID 134305891) has the molecular formula C20H33F2N and a molecular weight of 325.49 g/mol. Its IUPAC name is (Z)-3-[5-(1,1-difluoroethyl)-5-methylcyclohexen-1-yl]-N-methyldec-2-en-1-imine.

Molecular Properties

Compound Name(Z)-3-[5-(1,1-difluoroethyl)-5-methylcyclohexen-1-yl]-N-methyldec-2-en-1-imine
PubChem CID134305891
Molecular FormulaC20H33F2N
Molecular Weight325.49 g/mol
Exact Mass325.26
IUPAC Name(Z)-3-[5-(1,1-difluoroethyl)-5-methylcyclohexen-1-yl]-N-methyldec-2-en-1-imine
SMILESCCCCCCC/C(=C/C=N/C)C1=CCCC(C)(C(C)(F)F)C1
InChIInChI=1S/C20H33F2N/c1-5-6-7-8-9-11-17(13-15-23-4)18-12-10-14-19(2,16-18)20(3,21)22/h12-13,15H,5-11,14,16H2,1-4H3/b17-13-,23-15+
InChIKeyCRECVYLLCPLCDL-BWLYTCHZSA-N
XLogP6.75
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.49
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z)-3-[5-(1,1-difluoroethyl)-5-methylcyclohexen-1-yl]-N-methyldec-2-en-1-imine with MolForge

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Related Compounds

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CID 103448100
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CID 116572874
2-fluoro-2-methyldecan-3-one
CID 14645302
di(octadecanoyl)azanium bromide
CID 141010029
1,1,1-trifluoro-3-iodooct-2-ene
CID 72824718
N-[[2-(trifluoromethyl)phenyl]methylideneamino]decanamide
CID 5075472
N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]octadecanamide
CID 45054433
N-(butylideneamino)heptanamide
CID 4641242
1-methyl-3-octoxycyclohex-3-ene-1-carbaldehyde
CID 142267503
1-(1-tert-butyl-4,4-dimethyl-2,3-dihydropyridin-5-yl)octan-1-one
CID 54277898
(1E)-1-(2,6,6-trimethylcyclohex-2-en-1-ylidene)pentan-1-ol
CID 134889538

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[5-(1,1-difluoroethyl)-5-methylcyclohexen-1-yl]-N-methyldec-2-en-1-imine?
The IUPAC name of (Z)-3-[5-(1,1-difluoroethyl)-5-methylcyclohexen-1-yl]-N-methyldec-2-en-1-imine (CID 134305891) is (Z)-3-[5-(1,1-difluoroethyl)-5-methylcyclohexen-1-yl]-N-methyldec-2-en-1-imine.
What is the SMILES notation for (Z)-3-[5-(1,1-difluoroethyl)-5-methylcyclohexen-1-yl]-N-methyldec-2-en-1-imine?
The canonical SMILES for (Z)-3-[5-(1,1-difluoroethyl)-5-methylcyclohexen-1-yl]-N-methyldec-2-en-1-imine is CCCCCCC/C(=C/C=N/C)C1=CCCC(C)(C(C)(F)F)C1.
What is the InChIKey of (Z)-3-[5-(1,1-difluoroethyl)-5-methylcyclohexen-1-yl]-N-methyldec-2-en-1-imine?
The InChIKey is CRECVYLLCPLCDL-BWLYTCHZSA-N. The full InChI is InChI=1S/C20H33F2N/c1-5-6-7-8-9-11-17(13-15-23-4)18-12-10-14-19(2,16-18)20(3,21)22/h12-13,15H,5-11,14,16H2,1-4H3/b17-13-,23-15+.
What are the key properties of (Z)-3-[5-(1,1-difluoroethyl)-5-methylcyclohexen-1-yl]-N-methyldec-2-en-1-imine?
(Z)-3-[5-(1,1-difluoroethyl)-5-methylcyclohexen-1-yl]-N-methyldec-2-en-1-imine has a molecular weight of 325.49 g/mol, XLogP of 6.75, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[5-(1,1-difluoroethyl)-5-methylcyclohexen-1-yl]-N-methyldec-2-en-1-imine is sourced from PubChem (CID 134305891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).