N-[(5E)-1-iminohepta-1,3,5-trien-2-yl]-N-methylaniline

C14H16N2 — CID 15966558

IUPACN-[(5E)-1-iminohepta-1,3,5-trien-2-yl]-N-methylaniline
SMILESC/C=C/C=CC(=C=N)N(C)c1ccccc1
InChIInChI=1S/C14H16N2/c1-3-4-6-11-14(12-15)16(2)13-9-7-5-8-10-13/h3-11,15H,1-2H3/b4-3+,11-6?
InChIKeyISDRQMHZHZQJGM-GAUFXNGNSA-N
MW212.30 g/mol
LogP3.39
Rot. Bonds4

About N-[(5E)-1-iminohepta-1,3,5-trien-2-yl]-N-methylaniline

N-[(5E)-1-iminohepta-1,3,5-trien-2-yl]-N-methylaniline (PubChem CID 15966558) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is N-[(5E)-1-iminohepta-1,3,5-trien-2-yl]-N-methylaniline.

Molecular Properties

Compound NameN-[(5E)-1-iminohepta-1,3,5-trien-2-yl]-N-methylaniline
PubChem CID15966558
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC NameN-[(5E)-1-iminohepta-1,3,5-trien-2-yl]-N-methylaniline
SMILESC/C=C/C=CC(=C=N)N(C)c1ccccc1
InChIInChI=1S/C14H16N2/c1-3-4-6-11-14(12-15)16(2)13-9-7-5-8-10-13/h3-11,15H,1-2H3/b4-3+,11-6?
InChIKeyISDRQMHZHZQJGM-GAUFXNGNSA-N
XLogP3.39
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[(5E)-1-iminohepta-1,3,5-trien-2-yl]-N-methylaniline?
The IUPAC name of N-[(5E)-1-iminohepta-1,3,5-trien-2-yl]-N-methylaniline (CID 15966558) is N-[(5E)-1-iminohepta-1,3,5-trien-2-yl]-N-methylaniline.
What is the SMILES notation for N-[(5E)-1-iminohepta-1,3,5-trien-2-yl]-N-methylaniline?
The canonical SMILES for N-[(5E)-1-iminohepta-1,3,5-trien-2-yl]-N-methylaniline is C/C=C/C=CC(=C=N)N(C)c1ccccc1.
What is the InChIKey of N-[(5E)-1-iminohepta-1,3,5-trien-2-yl]-N-methylaniline?
The InChIKey is ISDRQMHZHZQJGM-GAUFXNGNSA-N. The full InChI is InChI=1S/C14H16N2/c1-3-4-6-11-14(12-15)16(2)13-9-7-5-8-10-13/h3-11,15H,1-2H3/b4-3+,11-6?.
What are the key properties of N-[(5E)-1-iminohepta-1,3,5-trien-2-yl]-N-methylaniline?
N-[(5E)-1-iminohepta-1,3,5-trien-2-yl]-N-methylaniline has a molecular weight of 212.30 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5E)-1-iminohepta-1,3,5-trien-2-yl]-N-methylaniline is sourced from PubChem (CID 15966558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).