(3E,5Z)-3-methyl-N-[(2E)-penta-2,4-dien-2-yl]hepta-3,5-dien-2-imine

C13H19N — CID 121372118

IUPAC(3E,5Z)-3-methyl-N-[(2E)-penta-2,4-dien-2-yl]hepta-3,5-dien-2-imine
SMILESC=C/C=C(C)/N=C(C)/C(C)=C/C=C\C
InChIInChI=1S/C13H19N/c1-6-8-10-11(3)13(5)14-12(4)9-7-2/h6-10H,2H2,1,3-5H3/b8-6-,11-10+,12-9+,14-13+
InChIKeyPIANRCHEVZEDKB-PENWBVHQSA-N
MW189.30 g/mol
LogP4.06
Rot. Bonds4

About (3E,5Z)-3-methyl-N-[(2E)-penta-2,4-dien-2-yl]hepta-3,5-dien-2-imine

(3E,5Z)-3-methyl-N-[(2E)-penta-2,4-dien-2-yl]hepta-3,5-dien-2-imine (PubChem CID 121372118) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is (3E,5Z)-3-methyl-N-[(2E)-penta-2,4-dien-2-yl]hepta-3,5-dien-2-imine.

Molecular Properties

Compound Name(3E,5Z)-3-methyl-N-[(2E)-penta-2,4-dien-2-yl]hepta-3,5-dien-2-imine
PubChem CID121372118
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name(3E,5Z)-3-methyl-N-[(2E)-penta-2,4-dien-2-yl]hepta-3,5-dien-2-imine
SMILESC=C/C=C(C)/N=C(C)/C(C)=C/C=C\C
InChIInChI=1S/C13H19N/c1-6-8-10-11(3)13(5)14-12(4)9-7-2/h6-10H,2H2,1,3-5H3/b8-6-,11-10+,12-9+,14-13+
InChIKeyPIANRCHEVZEDKB-PENWBVHQSA-N
XLogP4.06
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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 (3E,5Z)-3-methyl-N-[(2E)-penta-2,4-dien-2-yl]hepta-3,5-dien-2-imine?
The IUPAC name of (3E,5Z)-3-methyl-N-[(2E)-penta-2,4-dien-2-yl]hepta-3,5-dien-2-imine (CID 121372118) is (3E,5Z)-3-methyl-N-[(2E)-penta-2,4-dien-2-yl]hepta-3,5-dien-2-imine.
What is the SMILES notation for (3E,5Z)-3-methyl-N-[(2E)-penta-2,4-dien-2-yl]hepta-3,5-dien-2-imine?
The canonical SMILES for (3E,5Z)-3-methyl-N-[(2E)-penta-2,4-dien-2-yl]hepta-3,5-dien-2-imine is C=C/C=C(C)/N=C(C)/C(C)=C/C=C\C.
What is the InChIKey of (3E,5Z)-3-methyl-N-[(2E)-penta-2,4-dien-2-yl]hepta-3,5-dien-2-imine?
The InChIKey is PIANRCHEVZEDKB-PENWBVHQSA-N. The full InChI is InChI=1S/C13H19N/c1-6-8-10-11(3)13(5)14-12(4)9-7-2/h6-10H,2H2,1,3-5H3/b8-6-,11-10+,12-9+,14-13+.
What are the key properties of (3E,5Z)-3-methyl-N-[(2E)-penta-2,4-dien-2-yl]hepta-3,5-dien-2-imine?
(3E,5Z)-3-methyl-N-[(2E)-penta-2,4-dien-2-yl]hepta-3,5-dien-2-imine has a molecular weight of 189.30 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-3-methyl-N-[(2E)-penta-2,4-dien-2-yl]hepta-3,5-dien-2-imine is sourced from PubChem (CID 121372118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).