N-[(2E,4Z)-2-methylhexa-2,4-dienyl]-1-phenylethanimine

C15H19N — CID 144645018

IUPACN-[(2E,4Z)-2-methylhexa-2,4-dienyl]-1-phenylethanimine
SMILESC/C=C\C=C(/C)C/N=C(\C)c1ccccc1
InChIInChI=1S/C15H19N/c1-4-5-9-13(2)12-16-14(3)15-10-7-6-8-11-15/h4-11H,12H2,1-3H3/b5-4-,13-9+,16-14+
InChIKeySXBLFYOZDLVHOR-UKLZNZMKSA-N
MW213.32 g/mol
LogP4.02
Rot. Bonds4

About N-[(2E,4Z)-2-methylhexa-2,4-dienyl]-1-phenylethanimine

N-[(2E,4Z)-2-methylhexa-2,4-dienyl]-1-phenylethanimine (PubChem CID 144645018) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is N-[(2E,4Z)-2-methylhexa-2,4-dienyl]-1-phenylethanimine.

Molecular Properties

Compound NameN-[(2E,4Z)-2-methylhexa-2,4-dienyl]-1-phenylethanimine
PubChem CID144645018
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC NameN-[(2E,4Z)-2-methylhexa-2,4-dienyl]-1-phenylethanimine
SMILESC/C=C\C=C(/C)C/N=C(\C)c1ccccc1
InChIInChI=1S/C15H19N/c1-4-5-9-13(2)12-16-14(3)15-10-7-6-8-11-15/h4-11H,12H2,1-3H3/b5-4-,13-9+,16-14+
InChIKeySXBLFYOZDLVHOR-UKLZNZMKSA-N
XLogP4.02
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 54.02
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-[(2E,4Z)-2-methylhexa-2,4-dienyl]-1-phenylethanimine?
The IUPAC name of N-[(2E,4Z)-2-methylhexa-2,4-dienyl]-1-phenylethanimine (CID 144645018) is N-[(2E,4Z)-2-methylhexa-2,4-dienyl]-1-phenylethanimine.
What is the SMILES notation for N-[(2E,4Z)-2-methylhexa-2,4-dienyl]-1-phenylethanimine?
The canonical SMILES for N-[(2E,4Z)-2-methylhexa-2,4-dienyl]-1-phenylethanimine is C/C=C\C=C(/C)C/N=C(\C)c1ccccc1.
What is the InChIKey of N-[(2E,4Z)-2-methylhexa-2,4-dienyl]-1-phenylethanimine?
The InChIKey is SXBLFYOZDLVHOR-UKLZNZMKSA-N. The full InChI is InChI=1S/C15H19N/c1-4-5-9-13(2)12-16-14(3)15-10-7-6-8-11-15/h4-11H,12H2,1-3H3/b5-4-,13-9+,16-14+.
What are the key properties of N-[(2E,4Z)-2-methylhexa-2,4-dienyl]-1-phenylethanimine?
N-[(2E,4Z)-2-methylhexa-2,4-dienyl]-1-phenylethanimine has a molecular weight of 213.32 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4Z)-2-methylhexa-2,4-dienyl]-1-phenylethanimine is sourced from PubChem (CID 144645018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).