1-N-[(Z,5Z)-5-ethylideneoct-6-enyl]-1-N'-(4-fluoro-4-methylcyclohexyl)ethene-1,1-diamine

C19H33FN2 — CID 154665788

IUPAC1-N-[(Z,5Z)-5-ethylideneoct-6-enyl]-1-N'-(4-fluoro-4-methylcyclohexyl)ethene-1,1-diamine
SMILESC=C(NCCCCC(/C=C\C)=C/C)NC1CCC(C)(F)CC1
InChIInChI=1S/C19H33FN2/c1-5-9-17(6-2)10-7-8-15-21-16(3)22-18-11-13-19(4,20)14-12-18/h5-6,9,18,21-22H,3,7-8,10-15H2,1-2,4H3/b9-5-,17-6+
InChIKeyHJMCTRMDPAPXMG-JKECTIFDSA-N
MW308.48 g/mol
LogP5.00
Rot. Bonds9

About 1-N-[(Z,5Z)-5-ethylideneoct-6-enyl]-1-N'-(4-fluoro-4-methylcyclohexyl)ethene-1,1-diamine

1-N-[(Z,5Z)-5-ethylideneoct-6-enyl]-1-N'-(4-fluoro-4-methylcyclohexyl)ethene-1,1-diamine (PubChem CID 154665788) has the molecular formula C19H33FN2 and a molecular weight of 308.48 g/mol. Its IUPAC name is 1-N-[(Z,5Z)-5-ethylideneoct-6-enyl]-1-N'-(4-fluoro-4-methylcyclohexyl)ethene-1,1-diamine.

Molecular Properties

Compound Name1-N-[(Z,5Z)-5-ethylideneoct-6-enyl]-1-N'-(4-fluoro-4-methylcyclohexyl)ethene-1,1-diamine
PubChem CID154665788
Molecular FormulaC19H33FN2
Molecular Weight308.48 g/mol
Exact Mass308.26
IUPAC Name1-N-[(Z,5Z)-5-ethylideneoct-6-enyl]-1-N'-(4-fluoro-4-methylcyclohexyl)ethene-1,1-diamine
SMILESC=C(NCCCCC(/C=C\C)=C/C)NC1CCC(C)(F)CC1
InChIInChI=1S/C19H33FN2/c1-5-9-17(6-2)10-7-8-15-21-16(3)22-18-11-13-19(4,20)14-12-18/h5-6,9,18,21-22H,3,7-8,10-15H2,1-2,4H3/b9-5-,17-6+
InChIKeyHJMCTRMDPAPXMG-JKECTIFDSA-N
XLogP5.00
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.48
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-N-[(Z,5Z)-5-ethylideneoct-6-enyl]-1-N'-(4-fluoro-4-methylcyclohexyl)ethene-1,1-diamine with MolForge

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Related Compounds

(1E)-1-N'-[1-[[3-[(Z)-but-2-en-2-yl]cyclohexyl]amino]propyl]-1-N,2,3-trimethylbuta-1,3-diene-1,1-diamine
CID 129269611
1-N'-(1-cyclohexyl-2-methylprop-2-enyl)-1-N-(2-methylcyclohepta-1,5-dien-1-yl)ethene-1,1-diamine;ethane
CID 143358262
4,8-dimethyl-7,8,9,9a-tetrahydro-1H-cyclohepta[b]pyridin-2-amine
CID 166991979
N'-(2-ethyl-4-methylidenecyclohexyl)-N-[2-(2-methylprop-1-enyl)penta-2,3-dienyl]methanediamine
CID 174325537
1-N-[1-[(2Z,5Z)-9-bicyclo[5.3.1]undeca-1(11),2,5-trienyl]ethyl]-1-N'-(2,6-dimethylhept-6-en-3-yl)ethene-1,1-diamine
CID 143352157
1-N'-[1-(8-bicyclo[4.3.1]deca-1(10),2,4,6(10)-tetraenyl)-2-methylprop-2-enyl]-1-N-(3-methylbutan-2-yl)ethene-1,1-diamine
CID 143356882
1-N'-(1-cyclohexyl-2-methylprop-2-enyl)-1-N-(2-methylcyclohepta-1,5-dien-1-yl)ethene-1,1-diamine
CID 143358263
1-N'-[(Z)-3-but-3-enyl-5-methylideneoct-6-en-2-yl]-1-N-(2-methylpropyl)ethene-1,1-diamine
CID 143359127

Frequently Asked Questions

What is the IUPAC name of 1-N-[(Z,5Z)-5-ethylideneoct-6-enyl]-1-N'-(4-fluoro-4-methylcyclohexyl)ethene-1,1-diamine?
The IUPAC name of 1-N-[(Z,5Z)-5-ethylideneoct-6-enyl]-1-N'-(4-fluoro-4-methylcyclohexyl)ethene-1,1-diamine (CID 154665788) is 1-N-[(Z,5Z)-5-ethylideneoct-6-enyl]-1-N'-(4-fluoro-4-methylcyclohexyl)ethene-1,1-diamine.
What is the SMILES notation for 1-N-[(Z,5Z)-5-ethylideneoct-6-enyl]-1-N'-(4-fluoro-4-methylcyclohexyl)ethene-1,1-diamine?
The canonical SMILES for 1-N-[(Z,5Z)-5-ethylideneoct-6-enyl]-1-N'-(4-fluoro-4-methylcyclohexyl)ethene-1,1-diamine is C=C(NCCCCC(/C=C\C)=C/C)NC1CCC(C)(F)CC1.
What is the InChIKey of 1-N-[(Z,5Z)-5-ethylideneoct-6-enyl]-1-N'-(4-fluoro-4-methylcyclohexyl)ethene-1,1-diamine?
The InChIKey is HJMCTRMDPAPXMG-JKECTIFDSA-N. The full InChI is InChI=1S/C19H33FN2/c1-5-9-17(6-2)10-7-8-15-21-16(3)22-18-11-13-19(4,20)14-12-18/h5-6,9,18,21-22H,3,7-8,10-15H2,1-2,4H3/b9-5-,17-6+.
What are the key properties of 1-N-[(Z,5Z)-5-ethylideneoct-6-enyl]-1-N'-(4-fluoro-4-methylcyclohexyl)ethene-1,1-diamine?
1-N-[(Z,5Z)-5-ethylideneoct-6-enyl]-1-N'-(4-fluoro-4-methylcyclohexyl)ethene-1,1-diamine has a molecular weight of 308.48 g/mol, XLogP of 5.00, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(Z,5Z)-5-ethylideneoct-6-enyl]-1-N'-(4-fluoro-4-methylcyclohexyl)ethene-1,1-diamine is sourced from PubChem (CID 154665788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).