(E)-5,5-difluoro-3-methyl-N-(2-methyl-3-pentylcyclohexen-1-yl)hex-3-en-2-imine

C19H31F2N — CID 170647064

IUPAC(E)-5,5-difluoro-3-methyl-N-(2-methyl-3-pentylcyclohexen-1-yl)hex-3-en-2-imine
SMILESCCCCCC1CCCC(/N=C(C)/C(C)=C/C(C)(F)F)=C1C
InChIInChI=1S/C19H31F2N/c1-6-7-8-10-17-11-9-12-18(15(17)3)22-16(4)14(2)13-19(5,20)21/h13,17H,6-12H2,1-5H3/b14-13+,22-16+
InChIKeyQUYQGRPJHMDCPM-RWCCFGFOSA-N
MW311.46 g/mol
LogP6.70
Rot. Bonds7

About (E)-5,5-difluoro-3-methyl-N-(2-methyl-3-pentylcyclohexen-1-yl)hex-3-en-2-imine

(E)-5,5-difluoro-3-methyl-N-(2-methyl-3-pentylcyclohexen-1-yl)hex-3-en-2-imine (PubChem CID 170647064) has the molecular formula C19H31F2N and a molecular weight of 311.46 g/mol. Its IUPAC name is (E)-5,5-difluoro-3-methyl-N-(2-methyl-3-pentylcyclohexen-1-yl)hex-3-en-2-imine.

Molecular Properties

Compound Name(E)-5,5-difluoro-3-methyl-N-(2-methyl-3-pentylcyclohexen-1-yl)hex-3-en-2-imine
PubChem CID170647064
Molecular FormulaC19H31F2N
Molecular Weight311.46 g/mol
Exact Mass311.24
IUPAC Name(E)-5,5-difluoro-3-methyl-N-(2-methyl-3-pentylcyclohexen-1-yl)hex-3-en-2-imine
SMILESCCCCCC1CCCC(/N=C(C)/C(C)=C/C(C)(F)F)=C1C
InChIInChI=1S/C19H31F2N/c1-6-7-8-10-17-11-9-12-18(15(17)3)22-16(4)14(2)13-19(5,20)21/h13,17H,6-12H2,1-5H3/b14-13+,22-16+
InChIKeyQUYQGRPJHMDCPM-RWCCFGFOSA-N
XLogP6.70
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.46
LogP ≤ 56.70
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 (E)-5,5-difluoro-3-methyl-N-(2-methyl-3-pentylcyclohexen-1-yl)hex-3-en-2-imine with MolForge

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Launch Full Analysis

Related Compounds

N-(2-dodecylcyclohexylidene)hydroxylamine
CID 2729436
formic acid;2-pentylcyclohexan-1-one
CID 174877274
2-decylcyclopentan-1-one
CID 12823821
(2R)-2-pentylcyclohexan-1-one
CID 86310435
3-pentylcyclohexane-1,2-dione
CID 67378390
2-nonylcyclododecan-1-one
CID 14296722
(3R)-1,2-dimethyl-3-propylcyclohexene
CID 143703597
(2Z)-1-methylidene-3-pentyl-2-prop-2-enylidenecyclohexane
CID 142497367
carbon monoxide;cobalt;2-hexylcyclohexan-1-one
CID 134877528
2-amino-2-(difluoromethyl)-5-[(2-heptylcyclopentylidene)amino]pentanoic acid
CID 11279441
[(E)-[(2R)-2-hexylcyclopentylidene]amino]urea
CID 7412207
hexyl-methyl-[6-(2-oxocyclohexyl)hexyl]sulfanium
CID 151800654

Frequently Asked Questions

What is the IUPAC name of (E)-5,5-difluoro-3-methyl-N-(2-methyl-3-pentylcyclohexen-1-yl)hex-3-en-2-imine?
The IUPAC name of (E)-5,5-difluoro-3-methyl-N-(2-methyl-3-pentylcyclohexen-1-yl)hex-3-en-2-imine (CID 170647064) is (E)-5,5-difluoro-3-methyl-N-(2-methyl-3-pentylcyclohexen-1-yl)hex-3-en-2-imine.
What is the SMILES notation for (E)-5,5-difluoro-3-methyl-N-(2-methyl-3-pentylcyclohexen-1-yl)hex-3-en-2-imine?
The canonical SMILES for (E)-5,5-difluoro-3-methyl-N-(2-methyl-3-pentylcyclohexen-1-yl)hex-3-en-2-imine is CCCCCC1CCCC(/N=C(C)/C(C)=C/C(C)(F)F)=C1C.
What is the InChIKey of (E)-5,5-difluoro-3-methyl-N-(2-methyl-3-pentylcyclohexen-1-yl)hex-3-en-2-imine?
The InChIKey is QUYQGRPJHMDCPM-RWCCFGFOSA-N. The full InChI is InChI=1S/C19H31F2N/c1-6-7-8-10-17-11-9-12-18(15(17)3)22-16(4)14(2)13-19(5,20)21/h13,17H,6-12H2,1-5H3/b14-13+,22-16+.
What are the key properties of (E)-5,5-difluoro-3-methyl-N-(2-methyl-3-pentylcyclohexen-1-yl)hex-3-en-2-imine?
(E)-5,5-difluoro-3-methyl-N-(2-methyl-3-pentylcyclohexen-1-yl)hex-3-en-2-imine has a molecular weight of 311.46 g/mol, XLogP of 6.70, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5,5-difluoro-3-methyl-N-(2-methyl-3-pentylcyclohexen-1-yl)hex-3-en-2-imine is sourced from PubChem (CID 170647064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).