4,4-difluoro-N'-methyl-N-[(Z)-5-methylhept-3-enyl]cyclohexane-1-carboximidamide

C16H28F2N2 — CID 167149025

IUPAC4,4-difluoro-N'-methyl-N-[(Z)-5-methylhept-3-enyl]cyclohexane-1-carboximidamide
SMILESCCC(C)/C=C\CCN/C(=N\C)C1CCC(F)(F)CC1
InChIInChI=1S/C16H28F2N2/c1-4-13(2)7-5-6-12-20-15(19-3)14-8-10-16(17,18)11-9-14/h5,7,13-14H,4,6,8-12H2,1-3H3,(H,19,20)/b7-5-
InChIKeyUHQSKQMTGCSSEQ-ALCCZGGFSA-N
MW286.41 g/mol
LogP4.42
Rot. Bonds6

About 4,4-difluoro-N'-methyl-N-[(Z)-5-methylhept-3-enyl]cyclohexane-1-carboximidamide

4,4-difluoro-N'-methyl-N-[(Z)-5-methylhept-3-enyl]cyclohexane-1-carboximidamide (PubChem CID 167149025) has the molecular formula C16H28F2N2 and a molecular weight of 286.41 g/mol. Its IUPAC name is 4,4-difluoro-N'-methyl-N-[(Z)-5-methylhept-3-enyl]cyclohexane-1-carboximidamide.

Molecular Properties

Compound Name4,4-difluoro-N'-methyl-N-[(Z)-5-methylhept-3-enyl]cyclohexane-1-carboximidamide
PubChem CID167149025
Molecular FormulaC16H28F2N2
Molecular Weight286.41 g/mol
Exact Mass286.22
IUPAC Name4,4-difluoro-N'-methyl-N-[(Z)-5-methylhept-3-enyl]cyclohexane-1-carboximidamide
SMILESCCC(C)/C=C\CCN/C(=N\C)C1CCC(F)(F)CC1
InChIInChI=1S/C16H28F2N2/c1-4-13(2)7-5-6-12-20-15(19-3)14-8-10-16(17,18)11-9-14/h5,7,13-14H,4,6,8-12H2,1-3H3,(H,19,20)/b7-5-
InChIKeyUHQSKQMTGCSSEQ-ALCCZGGFSA-N
XLogP4.42
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.41
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

CID 164080820
CID 164080820
CID 167148982
CID 167148982
CID 167149099
CID 167149099
CID 167149117
CID 167149117
CID 19790568
CID 19790568
CID 134270618
CID 134270618
CID 141819301
CID 141819301
CID 79508262
CID 79508262
CID 79508370
CID 79508370
CID 79508371
CID 79508371

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N'-methyl-N-[(Z)-5-methylhept-3-enyl]cyclohexane-1-carboximidamide?
The IUPAC name of 4,4-difluoro-N'-methyl-N-[(Z)-5-methylhept-3-enyl]cyclohexane-1-carboximidamide (CID 167149025) is 4,4-difluoro-N'-methyl-N-[(Z)-5-methylhept-3-enyl]cyclohexane-1-carboximidamide.
What is the SMILES notation for 4,4-difluoro-N'-methyl-N-[(Z)-5-methylhept-3-enyl]cyclohexane-1-carboximidamide?
The canonical SMILES for 4,4-difluoro-N'-methyl-N-[(Z)-5-methylhept-3-enyl]cyclohexane-1-carboximidamide is CCC(C)/C=C\CCN/C(=N\C)C1CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-N'-methyl-N-[(Z)-5-methylhept-3-enyl]cyclohexane-1-carboximidamide?
The InChIKey is UHQSKQMTGCSSEQ-ALCCZGGFSA-N. The full InChI is InChI=1S/C16H28F2N2/c1-4-13(2)7-5-6-12-20-15(19-3)14-8-10-16(17,18)11-9-14/h5,7,13-14H,4,6,8-12H2,1-3H3,(H,19,20)/b7-5-.
What are the key properties of 4,4-difluoro-N'-methyl-N-[(Z)-5-methylhept-3-enyl]cyclohexane-1-carboximidamide?
4,4-difluoro-N'-methyl-N-[(Z)-5-methylhept-3-enyl]cyclohexane-1-carboximidamide has a molecular weight of 286.41 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N'-methyl-N-[(Z)-5-methylhept-3-enyl]cyclohexane-1-carboximidamide is sourced from PubChem (CID 167149025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).