N-[(3E,5Z)-5,7-dimethylocta-3,5-dien-4-yl]-6-methylideneoctan-2-imine

C19H33N — CID 134569900

IUPACN-[(3E,5Z)-5,7-dimethylocta-3,5-dien-4-yl]-6-methylideneoctan-2-imine
SMILESC=C(CC)CCC/C(C)=N/C(=C/CC)/C(C)=C\C(C)C
InChIInChI=1S/C19H33N/c1-8-11-19(17(6)14-15(3)4)20-18(7)13-10-12-16(5)9-2/h11,14-15H,5,8-10,12-13H2,1-4,6-7H3/b17-14-,19-11+,20-18+
InChIKeyKPIIODWIAXRHNX-DEHVHBSLSA-N
MW275.48 g/mol
LogP6.48
Rot. Bonds9

About N-[(3E,5Z)-5,7-dimethylocta-3,5-dien-4-yl]-6-methylideneoctan-2-imine

N-[(3E,5Z)-5,7-dimethylocta-3,5-dien-4-yl]-6-methylideneoctan-2-imine (PubChem CID 134569900) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is N-[(3E,5Z)-5,7-dimethylocta-3,5-dien-4-yl]-6-methylideneoctan-2-imine.

Molecular Properties

Compound NameN-[(3E,5Z)-5,7-dimethylocta-3,5-dien-4-yl]-6-methylideneoctan-2-imine
PubChem CID134569900
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC NameN-[(3E,5Z)-5,7-dimethylocta-3,5-dien-4-yl]-6-methylideneoctan-2-imine
SMILESC=C(CC)CCC/C(C)=N/C(=C/CC)/C(C)=C\C(C)C
InChIInChI=1S/C19H33N/c1-8-11-19(17(6)14-15(3)4)20-18(7)13-10-12-16(5)9-2/h11,14-15H,5,8-10,12-13H2,1-4,6-7H3/b17-14-,19-11+,20-18+
InChIKeyKPIIODWIAXRHNX-DEHVHBSLSA-N
XLogP6.48
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.48
LogP ≤ 56.48
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-[(3E,5Z)-5,7-dimethylocta-3,5-dien-4-yl]-6-methylideneoctan-2-imine with MolForge

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Related Compounds

(7Z,9Z,11E)-8-fluoro-9-methyl-N-[(Z)-pent-2-en-3-yl]-7-propan-2-yltrideca-7,9,11-trien-3-imine
CID 174349263
4-ethyl-N-[(Z)-1-(4-ethylcyclohexa-1,3-dien-1-yl)prop-1-enyl]-3-methylheptan-2-imine
CID 118198532
N-[(E)-heptadec-2-en-2-yl]butan-2-imine
CID 123729576
N-[(3Z,6Z,8Z)-8-methylundeca-3,6,8,10-tetraen-4-yl]heptan-2-imine
CID 130182348
N-[(4Z)-2,4,5-trimethyl-6-methylidenedeca-2,4,9-trien-3-yl]propan-2-imine
CID 130222514
(6Z,8Z)-7-ethyl-N-[(E)-3-methylpent-2-en-2-yl]deca-6,8-dien-2-imine
CID 131992884
(Z)-N-[(4E)-4-ethenyl-5-ethyl-2,6-dimethylhepta-2,4-dien-3-yl]-2-methylnon-7-en-4-imine
CID 132094818
N-[(2Z,5E)-5-ethenyl-7-methyl-4-methylidene-3-propylocta-2,5,7-trien-2-yl]propan-2-imine
CID 132150733
N-[(2Z,5E)-3-butyl-5-ethenyl-7-methyl-4-methylideneocta-2,5,7-trien-2-yl]propan-2-imine
CID 132150734
5-(5-ethenyl-2-ethylcyclohexa-1,5-dien-1-yl)-2,4-dimethyl-3H-pyrrole
CID 134594340
N-[(5E)-3-[(Z)-but-2-enyl]-4-methylidene-6-propyldeca-1,5,9-trien-2-yl]propan-2-imine
CID 135198904
(5Z)-2,3,4-trimethyl-5-[(2E,4E,6E,8Z,10E,13Z,15Z)-3,4,8,9-tetraethyl-2,5,7,10-tetramethyl-12-methylideneheptadeca-2,4,6,8,10,13,15-heptaenylidene]pyrrole
CID 137380869

Frequently Asked Questions

What is the IUPAC name of N-[(3E,5Z)-5,7-dimethylocta-3,5-dien-4-yl]-6-methylideneoctan-2-imine?
The IUPAC name of N-[(3E,5Z)-5,7-dimethylocta-3,5-dien-4-yl]-6-methylideneoctan-2-imine (CID 134569900) is N-[(3E,5Z)-5,7-dimethylocta-3,5-dien-4-yl]-6-methylideneoctan-2-imine.
What is the SMILES notation for N-[(3E,5Z)-5,7-dimethylocta-3,5-dien-4-yl]-6-methylideneoctan-2-imine?
The canonical SMILES for N-[(3E,5Z)-5,7-dimethylocta-3,5-dien-4-yl]-6-methylideneoctan-2-imine is C=C(CC)CCC/C(C)=N/C(=C/CC)/C(C)=C\C(C)C.
What is the InChIKey of N-[(3E,5Z)-5,7-dimethylocta-3,5-dien-4-yl]-6-methylideneoctan-2-imine?
The InChIKey is KPIIODWIAXRHNX-DEHVHBSLSA-N. The full InChI is InChI=1S/C19H33N/c1-8-11-19(17(6)14-15(3)4)20-18(7)13-10-12-16(5)9-2/h11,14-15H,5,8-10,12-13H2,1-4,6-7H3/b17-14-,19-11+,20-18+.
What are the key properties of N-[(3E,5Z)-5,7-dimethylocta-3,5-dien-4-yl]-6-methylideneoctan-2-imine?
N-[(3E,5Z)-5,7-dimethylocta-3,5-dien-4-yl]-6-methylideneoctan-2-imine has a molecular weight of 275.48 g/mol, XLogP of 6.48, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E,5Z)-5,7-dimethylocta-3,5-dien-4-yl]-6-methylideneoctan-2-imine is sourced from PubChem (CID 134569900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).