(3Z,5Z)-N-[(Z)-but-2-en-2-yl]-3-ethylideneocta-1,5,7-trien-4-imine

C14H19N — CID 143256701

IUPAC(3Z,5Z)-N-[(Z)-but-2-en-2-yl]-3-ethylideneocta-1,5,7-trien-4-imine
SMILESC=C/C=C\C(=N\C(C)=C/C)\C(C=C)=C/C
InChIInChI=1S/C14H19N/c1-6-10-11-14(13(8-3)9-4)15-12(5)7-2/h6-11H,1,3H2,2,4-5H3/b11-10-,12-7-,13-9-,15-14-
InChIKeyWLFLVDRELQNPFX-LYADBNLDSA-N
MW201.31 g/mol
LogP4.23
Rot. Bonds5

About (3Z,5Z)-N-[(Z)-but-2-en-2-yl]-3-ethylideneocta-1,5,7-trien-4-imine

(3Z,5Z)-N-[(Z)-but-2-en-2-yl]-3-ethylideneocta-1,5,7-trien-4-imine (PubChem CID 143256701) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is (3Z,5Z)-N-[(Z)-but-2-en-2-yl]-3-ethylideneocta-1,5,7-trien-4-imine.

Molecular Properties

Compound Name(3Z,5Z)-N-[(Z)-but-2-en-2-yl]-3-ethylideneocta-1,5,7-trien-4-imine
PubChem CID143256701
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name(3Z,5Z)-N-[(Z)-but-2-en-2-yl]-3-ethylideneocta-1,5,7-trien-4-imine
SMILESC=C/C=C\C(=N\C(C)=C/C)\C(C=C)=C/C
InChIInChI=1S/C14H19N/c1-6-10-11-14(13(8-3)9-4)15-12(5)7-2/h6-11H,1,3H2,2,4-5H3/b11-10-,12-7-,13-9-,15-14-
InChIKeyWLFLVDRELQNPFX-LYADBNLDSA-N
XLogP4.23
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 54.23
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'}

Analyze (3Z,5Z)-N-[(Z)-but-2-en-2-yl]-3-ethylideneocta-1,5,7-trien-4-imine with MolForge

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Related Compounds

(3Z,5E,6E,8Z)-6-ethenyl-5-ethylidenedeca-1,3,6,8-tetraene
CID 142285656
(3Z,5E,6E)-5-ethylidene-6-methylocta-1,3,6-triene
CID 155717462
ethane;(2Z,5E,6Z)-N-ethenyl-5-ethylidenenona-2,6,8-trien-4-imine
CID 143996029
N-[(Z)-but-2-en-2-yl]but-3-en-2-imine;ethane
CID 142047244
N-[(Z)-but-2-en-2-yl]but-3-en-2-imine;ethane
CID 142047288
(3E,4Z)-3-ethylidene-N-prop-1-en-2-ylhepta-1,4,6-trien-2-amine
CID 170141332
(3Z,5Z,6Z)-5-but-3-en-2-ylidene-4-ethenylnona-1,3,6,8-tetraene
CID 174021215
(3E,5Z)-3-ethenylocta-3,5,7-trien-2-one
CID 129142506
4-ethenyl-5-ethylideneocta-1,3,6-triene
CID 123583886
ethane;(3Z,4Z)-4-ethenyl-3-ethylidenehexa-1,4-diene
CID 143132046
ethane;(3Z,4Z)-4-ethenyl-3-ethylidenehexa-1,4-diene
CID 142009215
ethane;methane;(3E,5Z)-3-methyl-4-[(Z)-prop-1-enyl]octa-1,3,5,7-tetraene
CID 143006430

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-N-[(Z)-but-2-en-2-yl]-3-ethylideneocta-1,5,7-trien-4-imine?
The IUPAC name of (3Z,5Z)-N-[(Z)-but-2-en-2-yl]-3-ethylideneocta-1,5,7-trien-4-imine (CID 143256701) is (3Z,5Z)-N-[(Z)-but-2-en-2-yl]-3-ethylideneocta-1,5,7-trien-4-imine.
What is the SMILES notation for (3Z,5Z)-N-[(Z)-but-2-en-2-yl]-3-ethylideneocta-1,5,7-trien-4-imine?
The canonical SMILES for (3Z,5Z)-N-[(Z)-but-2-en-2-yl]-3-ethylideneocta-1,5,7-trien-4-imine is C=C/C=C\C(=N\C(C)=C/C)\C(C=C)=C/C.
What is the InChIKey of (3Z,5Z)-N-[(Z)-but-2-en-2-yl]-3-ethylideneocta-1,5,7-trien-4-imine?
The InChIKey is WLFLVDRELQNPFX-LYADBNLDSA-N. The full InChI is InChI=1S/C14H19N/c1-6-10-11-14(13(8-3)9-4)15-12(5)7-2/h6-11H,1,3H2,2,4-5H3/b11-10-,12-7-,13-9-,15-14-.
What are the key properties of (3Z,5Z)-N-[(Z)-but-2-en-2-yl]-3-ethylideneocta-1,5,7-trien-4-imine?
(3Z,5Z)-N-[(Z)-but-2-en-2-yl]-3-ethylideneocta-1,5,7-trien-4-imine has a molecular weight of 201.31 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-N-[(Z)-but-2-en-2-yl]-3-ethylideneocta-1,5,7-trien-4-imine is sourced from PubChem (CID 143256701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).