4-N-[4-[2-[1-[methyl-[2-(methylamino)ethenyl]amino]ethenyl]hydrazinyl]phenyl]benzene-1,4-diamine

C18H24N6 — CID 153262202

IUPAC4-N-[4-[2-[1-[methyl-[2-(methylamino)ethenyl]amino]ethenyl]hydrazinyl]phenyl]benzene-1,4-diamine
SMILESC=C(NNc1ccc(Nc2ccc(N)cc2)cc1)N(C)C=CNC
InChIInChI=1S/C18H24N6/c1-14(24(3)13-12-20-2)22-23-18-10-8-17(9-11-18)21-16-6-4-15(19)5-7-16/h4-13,20-23H,1,19H2,2-3H3
InChIKeyWVLTYZHTZGZSRV-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.02
Rot. Bonds8

About 4-N-[4-[2-[1-[methyl-[2-(methylamino)ethenyl]amino]ethenyl]hydrazinyl]phenyl]benzene-1,4-diamine

4-N-[4-[2-[1-[methyl-[2-(methylamino)ethenyl]amino]ethenyl]hydrazinyl]phenyl]benzene-1,4-diamine (PubChem CID 153262202) has the molecular formula C18H24N6 and a molecular weight of 324.43 g/mol. Its IUPAC name is 4-N-[4-[2-[1-[methyl-[2-(methylamino)ethenyl]amino]ethenyl]hydrazinyl]phenyl]benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[4-[2-[1-[methyl-[2-(methylamino)ethenyl]amino]ethenyl]hydrazinyl]phenyl]benzene-1,4-diamine
PubChem CID153262202
Molecular FormulaC18H24N6
Molecular Weight324.43 g/mol
Exact Mass324.21
IUPAC Name4-N-[4-[2-[1-[methyl-[2-(methylamino)ethenyl]amino]ethenyl]hydrazinyl]phenyl]benzene-1,4-diamine
SMILESC=C(NNc1ccc(Nc2ccc(N)cc2)cc1)N(C)C=CNC
InChIInChI=1S/C18H24N6/c1-14(24(3)13-12-20-2)22-23-18-10-8-17(9-11-18)21-16-6-4-15(19)5-7-16/h4-13,20-23H,1,19H2,2-3H3
InChIKeyWVLTYZHTZGZSRV-UHFFFAOYSA-N
XLogP3.02
TPSA77.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.02
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N-[4-[2-[1-[methyl-[2-(methylamino)ethenyl]amino]ethenyl]hydrazinyl]phenyl]benzene-1,4-diamine?
The IUPAC name of 4-N-[4-[2-[1-[methyl-[2-(methylamino)ethenyl]amino]ethenyl]hydrazinyl]phenyl]benzene-1,4-diamine (CID 153262202) is 4-N-[4-[2-[1-[methyl-[2-(methylamino)ethenyl]amino]ethenyl]hydrazinyl]phenyl]benzene-1,4-diamine.
What is the SMILES notation for 4-N-[4-[2-[1-[methyl-[2-(methylamino)ethenyl]amino]ethenyl]hydrazinyl]phenyl]benzene-1,4-diamine?
The canonical SMILES for 4-N-[4-[2-[1-[methyl-[2-(methylamino)ethenyl]amino]ethenyl]hydrazinyl]phenyl]benzene-1,4-diamine is C=C(NNc1ccc(Nc2ccc(N)cc2)cc1)N(C)C=CNC.
What is the InChIKey of 4-N-[4-[2-[1-[methyl-[2-(methylamino)ethenyl]amino]ethenyl]hydrazinyl]phenyl]benzene-1,4-diamine?
The InChIKey is WVLTYZHTZGZSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6/c1-14(24(3)13-12-20-2)22-23-18-10-8-17(9-11-18)21-16-6-4-15(19)5-7-16/h4-13,20-23H,1,19H2,2-3H3.
What are the key properties of 4-N-[4-[2-[1-[methyl-[2-(methylamino)ethenyl]amino]ethenyl]hydrazinyl]phenyl]benzene-1,4-diamine?
4-N-[4-[2-[1-[methyl-[2-(methylamino)ethenyl]amino]ethenyl]hydrazinyl]phenyl]benzene-1,4-diamine has a molecular weight of 324.43 g/mol, XLogP of 3.02, 8 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-[2-[1-[methyl-[2-(methylamino)ethenyl]amino]ethenyl]hydrazinyl]phenyl]benzene-1,4-diamine is sourced from PubChem (CID 153262202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).