(3E,4Z)-3-ethylidene-N,6-dimethyl-4-propylhepta-4,6-dien-2-imine

C14H23N — CID 91367652

IUPAC(3E,4Z)-3-ethylidene-N,6-dimethyl-4-propylhepta-4,6-dien-2-imine
SMILESC=C(C)/C=C(CCC)/C(=C\C)C(/C)=N/C
InChIInChI=1S/C14H23N/c1-7-9-13(10-11(3)4)14(8-2)12(5)15-6/h8,10H,3,7,9H2,1-2,4-6H3/b13-10-,14-8+,15-12+
InChIKeyUENMQXWIMQRZGC-AFJFXIATSA-N
MW205.34 g/mol
LogP4.33
Rot. Bonds5

About (3E,4Z)-3-ethylidene-N,6-dimethyl-4-propylhepta-4,6-dien-2-imine

(3E,4Z)-3-ethylidene-N,6-dimethyl-4-propylhepta-4,6-dien-2-imine (PubChem CID 91367652) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is (3E,4Z)-3-ethylidene-N,6-dimethyl-4-propylhepta-4,6-dien-2-imine.

Molecular Properties

Compound Name(3E,4Z)-3-ethylidene-N,6-dimethyl-4-propylhepta-4,6-dien-2-imine
PubChem CID91367652
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name(3E,4Z)-3-ethylidene-N,6-dimethyl-4-propylhepta-4,6-dien-2-imine
SMILESC=C(C)/C=C(CCC)/C(=C\C)C(/C)=N/C
InChIInChI=1S/C14H23N/c1-7-9-13(10-11(3)4)14(8-2)12(5)15-6/h8,10H,3,7,9H2,1-2,4-6H3/b13-10-,14-8+,15-12+
InChIKeyUENMQXWIMQRZGC-AFJFXIATSA-N
XLogP4.33
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-N,2-dimethylcyclohex-2-en-1-imine
CID 123676418
1-(2-fluorocyclohexa-1,3-dien-1-yl)-N-methylethanimine
CID 146585989
(5E,7Z)-9-fluoro-N,5-dimethyldeca-5,7,9-trien-3-imine
CID 153384496
(3Z,7E)-3,7-di(ethylidene)-1,1-difluoro-N-methyl-4,6,8-trimethylidenedecan-2-imine
CID 155371817
(3Z,6Z,8Z)-6-ethenyl-9-fluoro-N,10-dimethylundeca-3,6,8,10-tetraen-5-imine
CID 163590444
(E)-8,8,8-trifluoro-N,3,4-trimethyl-5-methylideneoct-3-en-2-imine
CID 166122432
(E,5E)-7,9,9,9-tetrafluoro-N,6,8-trimethyl-5-prop-2-enylidenenon-6-en-4-imine
CID 166823969
5-Methyl-4-pentyl-2h-pyrrole
CID 134817822
(5E,7E)-2-(difluoromethyl)-N,5,8-trimethyldeca-1,5,7-trien-4-imine
CID 170733996
(6Z)-6-ethylidene-2-fluoro-N-methyl-4-propylcyclohexa-2,4-dien-1-imine
CID 177041111
(Z)-N,3-dimethyl-4-methylidenehept-2-enimidoyl fluoride
CID 177041230
(4E)-4-ethylidene-5-heptyl-2,3-dihydropyrrole
CID 101476035

Frequently Asked Questions

What is the IUPAC name of (3E,4Z)-3-ethylidene-N,6-dimethyl-4-propylhepta-4,6-dien-2-imine?
The IUPAC name of (3E,4Z)-3-ethylidene-N,6-dimethyl-4-propylhepta-4,6-dien-2-imine (CID 91367652) is (3E,4Z)-3-ethylidene-N,6-dimethyl-4-propylhepta-4,6-dien-2-imine.
What is the SMILES notation for (3E,4Z)-3-ethylidene-N,6-dimethyl-4-propylhepta-4,6-dien-2-imine?
The canonical SMILES for (3E,4Z)-3-ethylidene-N,6-dimethyl-4-propylhepta-4,6-dien-2-imine is C=C(C)/C=C(CCC)/C(=C\C)C(/C)=N/C.
What is the InChIKey of (3E,4Z)-3-ethylidene-N,6-dimethyl-4-propylhepta-4,6-dien-2-imine?
The InChIKey is UENMQXWIMQRZGC-AFJFXIATSA-N. The full InChI is InChI=1S/C14H23N/c1-7-9-13(10-11(3)4)14(8-2)12(5)15-6/h8,10H,3,7,9H2,1-2,4-6H3/b13-10-,14-8+,15-12+.
What are the key properties of (3E,4Z)-3-ethylidene-N,6-dimethyl-4-propylhepta-4,6-dien-2-imine?
(3E,4Z)-3-ethylidene-N,6-dimethyl-4-propylhepta-4,6-dien-2-imine has a molecular weight of 205.34 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,4Z)-3-ethylidene-N,6-dimethyl-4-propylhepta-4,6-dien-2-imine is sourced from PubChem (CID 91367652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).