N-[(1E,4Z)-2,5,6-trimethyl-3-methylidenehepta-1,4-dienyl]methanimine

C12H19N — CID 134566813

IUPACN-[(1E,4Z)-2,5,6-trimethyl-3-methylidenehepta-1,4-dienyl]methanimine
SMILESC=N/C=C(\C)C(=C)/C=C(/C)C(C)C
InChIInChI=1S/C12H19N/c1-9(2)10(3)7-11(4)12(5)8-13-6/h7-9H,4,6H2,1-3,5H3/b10-7-,12-8+
InChIKeyGFJWZHVHOBRLSE-MITUOZDPSA-N
MW177.29 g/mol
LogP3.75
Rot. Bonds4

About N-[(1E,4Z)-2,5,6-trimethyl-3-methylidenehepta-1,4-dienyl]methanimine

N-[(1E,4Z)-2,5,6-trimethyl-3-methylidenehepta-1,4-dienyl]methanimine (PubChem CID 134566813) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is N-[(1E,4Z)-2,5,6-trimethyl-3-methylidenehepta-1,4-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1E,4Z)-2,5,6-trimethyl-3-methylidenehepta-1,4-dienyl]methanimine
PubChem CID134566813
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC NameN-[(1E,4Z)-2,5,6-trimethyl-3-methylidenehepta-1,4-dienyl]methanimine
SMILESC=N/C=C(\C)C(=C)/C=C(/C)C(C)C
InChIInChI=1S/C12H19N/c1-9(2)10(3)7-11(4)12(5)8-13-6/h7-9H,4,6H2,1-3,5H3/b10-7-,12-8+
InChIKeyGFJWZHVHOBRLSE-MITUOZDPSA-N
XLogP3.75
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.75
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 N-[(1E,4Z)-2,5,6-trimethyl-3-methylidenehepta-1,4-dienyl]methanimine?
The IUPAC name of N-[(1E,4Z)-2,5,6-trimethyl-3-methylidenehepta-1,4-dienyl]methanimine (CID 134566813) is N-[(1E,4Z)-2,5,6-trimethyl-3-methylidenehepta-1,4-dienyl]methanimine.
What is the SMILES notation for N-[(1E,4Z)-2,5,6-trimethyl-3-methylidenehepta-1,4-dienyl]methanimine?
The canonical SMILES for N-[(1E,4Z)-2,5,6-trimethyl-3-methylidenehepta-1,4-dienyl]methanimine is C=N/C=C(\C)C(=C)/C=C(/C)C(C)C.
What is the InChIKey of N-[(1E,4Z)-2,5,6-trimethyl-3-methylidenehepta-1,4-dienyl]methanimine?
The InChIKey is GFJWZHVHOBRLSE-MITUOZDPSA-N. The full InChI is InChI=1S/C12H19N/c1-9(2)10(3)7-11(4)12(5)8-13-6/h7-9H,4,6H2,1-3,5H3/b10-7-,12-8+.
What are the key properties of N-[(1E,4Z)-2,5,6-trimethyl-3-methylidenehepta-1,4-dienyl]methanimine?
N-[(1E,4Z)-2,5,6-trimethyl-3-methylidenehepta-1,4-dienyl]methanimine has a molecular weight of 177.29 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E,4Z)-2,5,6-trimethyl-3-methylidenehepta-1,4-dienyl]methanimine is sourced from PubChem (CID 134566813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).