N-methyl-N-[(E)-[(3Z)-2-(methylamino)hexa-3,5-dienylidene]amino]aniline

C14H19N3 — CID 89320169

IUPACN-methyl-N-[(E)-[(3Z)-2-(methylamino)hexa-3,5-dienylidene]amino]aniline
SMILESC=C/C=C\C(/C=N/N(C)c1ccccc1)NC
InChIInChI=1S/C14H19N3/c1-4-5-9-13(15-2)12-16-17(3)14-10-7-6-8-11-14/h4-13,15H,1H2,2-3H3/b9-5-,16-12+
InChIKeyFQPDNOLNLQEERI-UHYBOTSISA-N
MW229.33 g/mol
LogP2.44
Rot. Bonds6

About N-methyl-N-[(E)-[(3Z)-2-(methylamino)hexa-3,5-dienylidene]amino]aniline

N-methyl-N-[(E)-[(3Z)-2-(methylamino)hexa-3,5-dienylidene]amino]aniline (PubChem CID 89320169) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is N-methyl-N-[(E)-[(3Z)-2-(methylamino)hexa-3,5-dienylidene]amino]aniline.

Molecular Properties

Compound NameN-methyl-N-[(E)-[(3Z)-2-(methylamino)hexa-3,5-dienylidene]amino]aniline
PubChem CID89320169
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC NameN-methyl-N-[(E)-[(3Z)-2-(methylamino)hexa-3,5-dienylidene]amino]aniline
SMILESC=C/C=C\C(/C=N/N(C)c1ccccc1)NC
InChIInChI=1S/C14H19N3/c1-4-5-9-13(15-2)12-16-17(3)14-10-7-6-8-11-14/h4-13,15H,1H2,2-3H3/b9-5-,16-12+
InChIKeyFQPDNOLNLQEERI-UHYBOTSISA-N
XLogP2.44
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(E)-[(3Z)-2-(methylamino)hexa-3,5-dienylidene]amino]aniline?
The IUPAC name of N-methyl-N-[(E)-[(3Z)-2-(methylamino)hexa-3,5-dienylidene]amino]aniline (CID 89320169) is N-methyl-N-[(E)-[(3Z)-2-(methylamino)hexa-3,5-dienylidene]amino]aniline.
What is the SMILES notation for N-methyl-N-[(E)-[(3Z)-2-(methylamino)hexa-3,5-dienylidene]amino]aniline?
The canonical SMILES for N-methyl-N-[(E)-[(3Z)-2-(methylamino)hexa-3,5-dienylidene]amino]aniline is C=C/C=C\C(/C=N/N(C)c1ccccc1)NC.
What is the InChIKey of N-methyl-N-[(E)-[(3Z)-2-(methylamino)hexa-3,5-dienylidene]amino]aniline?
The InChIKey is FQPDNOLNLQEERI-UHYBOTSISA-N. The full InChI is InChI=1S/C14H19N3/c1-4-5-9-13(15-2)12-16-17(3)14-10-7-6-8-11-14/h4-13,15H,1H2,2-3H3/b9-5-,16-12+.
What are the key properties of N-methyl-N-[(E)-[(3Z)-2-(methylamino)hexa-3,5-dienylidene]amino]aniline?
N-methyl-N-[(E)-[(3Z)-2-(methylamino)hexa-3,5-dienylidene]amino]aniline has a molecular weight of 229.33 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(E)-[(3Z)-2-(methylamino)hexa-3,5-dienylidene]amino]aniline is sourced from PubChem (CID 89320169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).