N'-ethenyl-N-[(2Z,4Z)-hepta-2,4,6-trienyl]-N-methyl-N'-phenylmethanediamine

C17H22N2 — CID 143318035

IUPACN'-ethenyl-N-[(2Z,4Z)-hepta-2,4,6-trienyl]-N-methyl-N'-phenylmethanediamine
SMILESC=C/C=C\C=C/CN(C)CN(C=C)c1ccccc1
InChIInChI=1S/C17H22N2/c1-4-6-7-8-12-15-18(3)16-19(5-2)17-13-10-9-11-14-17/h4-14H,1-2,15-16H2,3H3/b7-6-,12-8-
InChIKeyLKAZBCLQHTVPJT-IJDSZTBYSA-N
MW254.38 g/mol
LogP3.82
Rot. Bonds8

About N'-ethenyl-N-[(2Z,4Z)-hepta-2,4,6-trienyl]-N-methyl-N'-phenylmethanediamine

N'-ethenyl-N-[(2Z,4Z)-hepta-2,4,6-trienyl]-N-methyl-N'-phenylmethanediamine (PubChem CID 143318035) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is N'-ethenyl-N-[(2Z,4Z)-hepta-2,4,6-trienyl]-N-methyl-N'-phenylmethanediamine.

Molecular Properties

Compound NameN'-ethenyl-N-[(2Z,4Z)-hepta-2,4,6-trienyl]-N-methyl-N'-phenylmethanediamine
PubChem CID143318035
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC NameN'-ethenyl-N-[(2Z,4Z)-hepta-2,4,6-trienyl]-N-methyl-N'-phenylmethanediamine
SMILESC=C/C=C\C=C/CN(C)CN(C=C)c1ccccc1
InChIInChI=1S/C17H22N2/c1-4-6-7-8-12-15-18(3)16-19(5-2)17-13-10-9-11-14-17/h4-14H,1-2,15-16H2,3H3/b7-6-,12-8-
InChIKeyLKAZBCLQHTVPJT-IJDSZTBYSA-N
XLogP3.82
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N'-ethenyl-N-[(2Z,4Z)-hepta-2,4,6-trienyl]-N-methyl-N'-phenylmethanediamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-ethenyl-N-[(2Z,4Z)-hepta-2,4,6-trienyl]-N-methyl-N'-phenylmethanediamine?
The IUPAC name of N'-ethenyl-N-[(2Z,4Z)-hepta-2,4,6-trienyl]-N-methyl-N'-phenylmethanediamine (CID 143318035) is N'-ethenyl-N-[(2Z,4Z)-hepta-2,4,6-trienyl]-N-methyl-N'-phenylmethanediamine.
What is the SMILES notation for N'-ethenyl-N-[(2Z,4Z)-hepta-2,4,6-trienyl]-N-methyl-N'-phenylmethanediamine?
The canonical SMILES for N'-ethenyl-N-[(2Z,4Z)-hepta-2,4,6-trienyl]-N-methyl-N'-phenylmethanediamine is C=C/C=C\C=C/CN(C)CN(C=C)c1ccccc1.
What is the InChIKey of N'-ethenyl-N-[(2Z,4Z)-hepta-2,4,6-trienyl]-N-methyl-N'-phenylmethanediamine?
The InChIKey is LKAZBCLQHTVPJT-IJDSZTBYSA-N. The full InChI is InChI=1S/C17H22N2/c1-4-6-7-8-12-15-18(3)16-19(5-2)17-13-10-9-11-14-17/h4-14H,1-2,15-16H2,3H3/b7-6-,12-8-.
What are the key properties of N'-ethenyl-N-[(2Z,4Z)-hepta-2,4,6-trienyl]-N-methyl-N'-phenylmethanediamine?
N'-ethenyl-N-[(2Z,4Z)-hepta-2,4,6-trienyl]-N-methyl-N'-phenylmethanediamine has a molecular weight of 254.38 g/mol, XLogP of 3.82, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethenyl-N-[(2Z,4Z)-hepta-2,4,6-trienyl]-N-methyl-N'-phenylmethanediamine is sourced from PubChem (CID 143318035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).