(Z)-N-[(3Z)-penta-1,3-dien-3-yl]hept-4-en-1-imine

C12H19N — CID 118616221

IUPAC(Z)-N-[(3Z)-penta-1,3-dien-3-yl]hept-4-en-1-imine
SMILESC=CC(=C/C)/N=C/CC/C=C\CC
InChIInChI=1S/C12H19N/c1-4-7-8-9-10-11-13-12(5-2)6-3/h5-8,11H,2,4,9-10H2,1,3H3/b8-7-,12-6-,13-11+
InChIKeyFNXQPZJPTSGDBY-XRVPFVKSSA-N
MW177.29 g/mol
LogP3.89
Rot. Bonds6

About (Z)-N-[(3Z)-penta-1,3-dien-3-yl]hept-4-en-1-imine

(Z)-N-[(3Z)-penta-1,3-dien-3-yl]hept-4-en-1-imine (PubChem CID 118616221) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is (Z)-N-[(3Z)-penta-1,3-dien-3-yl]hept-4-en-1-imine.

Molecular Properties

Compound Name(Z)-N-[(3Z)-penta-1,3-dien-3-yl]hept-4-en-1-imine
PubChem CID118616221
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name(Z)-N-[(3Z)-penta-1,3-dien-3-yl]hept-4-en-1-imine
SMILESC=CC(=C/C)/N=C/CC/C=C\CC
InChIInChI=1S/C12H19N/c1-4-7-8-9-10-11-13-12(5-2)6-3/h5-8,11H,2,4,9-10H2,1,3H3/b8-7-,12-6-,13-11+
InChIKeyFNXQPZJPTSGDBY-XRVPFVKSSA-N
XLogP3.89
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.89
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3Z,7Z,11Z)-tetradeca-3,7,11-triene
CID 123167975
(7Z)-deca-3,7-diene
CID 173009236
(5Z,9E)-dodeca-1,5,9-triene
CID 173147853
ethene;octa-1,5-diene
CID 175164046
(Z)-2-(propylideneamino)but-2-enal
CID 169111295
hexadeca-1,5,13-triene
CID 174048718
4-ethylidenedeca-1,7-diene
CID 72650230
ethene;(Z)-hept-3-ene
CID 142517945
N-[(3Z)-penta-1,3-dien-3-yl]pent-1-en-3-imine
CID 170087615
ethane;(2E,4Z)-2-ethenyl-N-[(3E,5Z)-hepta-1,3,5-trien-3-yl]hepta-2,4-dien-1-imine
CID 142960447
trideca-1,10-diene
CID 54351837
(3E,5E,7E,11E)-tetradeca-3,5,7,11-tetraene
CID 173380885

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(3Z)-penta-1,3-dien-3-yl]hept-4-en-1-imine?
The IUPAC name of (Z)-N-[(3Z)-penta-1,3-dien-3-yl]hept-4-en-1-imine (CID 118616221) is (Z)-N-[(3Z)-penta-1,3-dien-3-yl]hept-4-en-1-imine.
What is the SMILES notation for (Z)-N-[(3Z)-penta-1,3-dien-3-yl]hept-4-en-1-imine?
The canonical SMILES for (Z)-N-[(3Z)-penta-1,3-dien-3-yl]hept-4-en-1-imine is C=CC(=C/C)/N=C/CC/C=C\CC.
What is the InChIKey of (Z)-N-[(3Z)-penta-1,3-dien-3-yl]hept-4-en-1-imine?
The InChIKey is FNXQPZJPTSGDBY-XRVPFVKSSA-N. The full InChI is InChI=1S/C12H19N/c1-4-7-8-9-10-11-13-12(5-2)6-3/h5-8,11H,2,4,9-10H2,1,3H3/b8-7-,12-6-,13-11+.
What are the key properties of (Z)-N-[(3Z)-penta-1,3-dien-3-yl]hept-4-en-1-imine?
(Z)-N-[(3Z)-penta-1,3-dien-3-yl]hept-4-en-1-imine has a molecular weight of 177.29 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(3Z)-penta-1,3-dien-3-yl]hept-4-en-1-imine is sourced from PubChem (CID 118616221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).