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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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).