(2Z,4E)-4-methyl-N-[(2E)-penta-2,4-dien-2-yl]hepta-2,4-dien-1-imine

C13H19N — CID 89046003

IUPAC(2Z,4E)-4-methyl-N-[(2E)-penta-2,4-dien-2-yl]hepta-2,4-dien-1-imine
SMILESC=C/C=C(C)/N=C/C=C\C(C)=C\CC
InChIInChI=1S/C13H19N/c1-5-8-12(3)10-7-11-14-13(4)9-6-2/h6-11H,2,5H2,1,3-4H3/b10-7-,12-8+,13-9+,14-11+
InChIKeyOQIPJBYWNSOBSU-GDVNLAPZSA-N
MW189.30 g/mol
LogP4.06
Rot. Bonds5

About (2Z,4E)-4-methyl-N-[(2E)-penta-2,4-dien-2-yl]hepta-2,4-dien-1-imine

(2Z,4E)-4-methyl-N-[(2E)-penta-2,4-dien-2-yl]hepta-2,4-dien-1-imine (PubChem CID 89046003) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is (2Z,4E)-4-methyl-N-[(2E)-penta-2,4-dien-2-yl]hepta-2,4-dien-1-imine.

Molecular Properties

Compound Name(2Z,4E)-4-methyl-N-[(2E)-penta-2,4-dien-2-yl]hepta-2,4-dien-1-imine
PubChem CID89046003
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name(2Z,4E)-4-methyl-N-[(2E)-penta-2,4-dien-2-yl]hepta-2,4-dien-1-imine
SMILESC=C/C=C(C)/N=C/C=C\C(C)=C\CC
InChIInChI=1S/C13H19N/c1-5-8-12(3)10-7-11-14-13(4)9-6-2/h6-11H,2,5H2,1,3-4H3/b10-7-,12-8+,13-9+,14-11+
InChIKeyOQIPJBYWNSOBSU-GDVNLAPZSA-N
XLogP4.06
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 54.06
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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Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-4-methyl-N-[(2E)-penta-2,4-dien-2-yl]hepta-2,4-dien-1-imine?
The IUPAC name of (2Z,4E)-4-methyl-N-[(2E)-penta-2,4-dien-2-yl]hepta-2,4-dien-1-imine (CID 89046003) is (2Z,4E)-4-methyl-N-[(2E)-penta-2,4-dien-2-yl]hepta-2,4-dien-1-imine.
What is the SMILES notation for (2Z,4E)-4-methyl-N-[(2E)-penta-2,4-dien-2-yl]hepta-2,4-dien-1-imine?
The canonical SMILES for (2Z,4E)-4-methyl-N-[(2E)-penta-2,4-dien-2-yl]hepta-2,4-dien-1-imine is C=C/C=C(C)/N=C/C=C\C(C)=C\CC.
What is the InChIKey of (2Z,4E)-4-methyl-N-[(2E)-penta-2,4-dien-2-yl]hepta-2,4-dien-1-imine?
The InChIKey is OQIPJBYWNSOBSU-GDVNLAPZSA-N. The full InChI is InChI=1S/C13H19N/c1-5-8-12(3)10-7-11-14-13(4)9-6-2/h6-11H,2,5H2,1,3-4H3/b10-7-,12-8+,13-9+,14-11+.
What are the key properties of (2Z,4E)-4-methyl-N-[(2E)-penta-2,4-dien-2-yl]hepta-2,4-dien-1-imine?
(2Z,4E)-4-methyl-N-[(2E)-penta-2,4-dien-2-yl]hepta-2,4-dien-1-imine has a molecular weight of 189.30 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-4-methyl-N-[(2E)-penta-2,4-dien-2-yl]hepta-2,4-dien-1-imine is sourced from PubChem (CID 89046003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).