N-[(1Z,3E)-4-methyl-2-propan-2-ylhexa-1,3-dienyl]methanimine

C11H19N — CID 137390856

IUPACN-[(1Z,3E)-4-methyl-2-propan-2-ylhexa-1,3-dienyl]methanimine
SMILESC=N/C=C(\C=C(/C)CC)C(C)C
InChIInChI=1S/C11H19N/c1-6-10(4)7-11(8-12-5)9(2)3/h7-9H,5-6H2,1-4H3/b10-7+,11-8+
InChIKeyZPYJRVOYRKCFHJ-AMMQDNIMSA-N
MW165.28 g/mol
LogP3.58
Rot. Bonds4

About N-[(1Z,3E)-4-methyl-2-propan-2-ylhexa-1,3-dienyl]methanimine

N-[(1Z,3E)-4-methyl-2-propan-2-ylhexa-1,3-dienyl]methanimine (PubChem CID 137390856) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is N-[(1Z,3E)-4-methyl-2-propan-2-ylhexa-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1Z,3E)-4-methyl-2-propan-2-ylhexa-1,3-dienyl]methanimine
PubChem CID137390856
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC NameN-[(1Z,3E)-4-methyl-2-propan-2-ylhexa-1,3-dienyl]methanimine
SMILESC=N/C=C(\C=C(/C)CC)C(C)C
InChIInChI=1S/C11H19N/c1-6-10(4)7-11(8-12-5)9(2)3/h7-9H,5-6H2,1-4H3/b10-7+,11-8+
InChIKeyZPYJRVOYRKCFHJ-AMMQDNIMSA-N
XLogP3.58
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.58
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-[(1Z,3E)-4-methyl-2-propan-2-ylhexa-1,3-dienyl]methanimine?
The IUPAC name of N-[(1Z,3E)-4-methyl-2-propan-2-ylhexa-1,3-dienyl]methanimine (CID 137390856) is N-[(1Z,3E)-4-methyl-2-propan-2-ylhexa-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1Z,3E)-4-methyl-2-propan-2-ylhexa-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1Z,3E)-4-methyl-2-propan-2-ylhexa-1,3-dienyl]methanimine is C=N/C=C(\C=C(/C)CC)C(C)C.
What is the InChIKey of N-[(1Z,3E)-4-methyl-2-propan-2-ylhexa-1,3-dienyl]methanimine?
The InChIKey is ZPYJRVOYRKCFHJ-AMMQDNIMSA-N. The full InChI is InChI=1S/C11H19N/c1-6-10(4)7-11(8-12-5)9(2)3/h7-9H,5-6H2,1-4H3/b10-7+,11-8+.
What are the key properties of N-[(1Z,3E)-4-methyl-2-propan-2-ylhexa-1,3-dienyl]methanimine?
N-[(1Z,3E)-4-methyl-2-propan-2-ylhexa-1,3-dienyl]methanimine has a molecular weight of 165.28 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z,3E)-4-methyl-2-propan-2-ylhexa-1,3-dienyl]methanimine is sourced from PubChem (CID 137390856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).