4-[1-(2-ethynylhydrazinyl)-2-methylprop-1-enyl]-2-N-(3-phenylphenyl)benzene-1,2-diamine

C24H24N4 — CID 88990919

IUPAC4-[1-(2-ethynylhydrazinyl)-2-methylprop-1-enyl]-2-N-(3-phenylphenyl)benzene-1,2-diamine
SMILESC#CNNC(=C(C)C)c1ccc(N)c(Nc2cccc(-c3ccccc3)c2)c1
InChIInChI=1S/C24H24N4/c1-4-26-28-24(17(2)3)20-13-14-22(25)23(16-20)27-21-12-8-11-19(15-21)18-9-6-5-7-10-18/h1,5-16,26-28H,25H2,2-3H3
InChIKeyQHUYOLHAPRFCTF-UHFFFAOYSA-N
MW368.48 g/mol
LogP5.12
Rot. Bonds6

About 4-[1-(2-ethynylhydrazinyl)-2-methylprop-1-enyl]-2-N-(3-phenylphenyl)benzene-1,2-diamine

4-[1-(2-ethynylhydrazinyl)-2-methylprop-1-enyl]-2-N-(3-phenylphenyl)benzene-1,2-diamine (PubChem CID 88990919) has the molecular formula C24H24N4 and a molecular weight of 368.48 g/mol. Its IUPAC name is 4-[1-(2-ethynylhydrazinyl)-2-methylprop-1-enyl]-2-N-(3-phenylphenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-[1-(2-ethynylhydrazinyl)-2-methylprop-1-enyl]-2-N-(3-phenylphenyl)benzene-1,2-diamine
PubChem CID88990919
Molecular FormulaC24H24N4
Molecular Weight368.48 g/mol
Exact Mass368.20
IUPAC Name4-[1-(2-ethynylhydrazinyl)-2-methylprop-1-enyl]-2-N-(3-phenylphenyl)benzene-1,2-diamine
SMILESC#CNNC(=C(C)C)c1ccc(N)c(Nc2cccc(-c3ccccc3)c2)c1
InChIInChI=1S/C24H24N4/c1-4-26-28-24(17(2)3)20-13-14-22(25)23(16-20)27-21-12-8-11-19(15-21)18-9-6-5-7-10-18/h1,5-16,26-28H,25H2,2-3H3
InChIKeyQHUYOLHAPRFCTF-UHFFFAOYSA-N
XLogP5.12
TPSA62.11 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.48
LogP ≤ 55.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-ethynylhydrazinyl)-2-methylprop-1-enyl]-2-N-(3-phenylphenyl)benzene-1,2-diamine?
The IUPAC name of 4-[1-(2-ethynylhydrazinyl)-2-methylprop-1-enyl]-2-N-(3-phenylphenyl)benzene-1,2-diamine (CID 88990919) is 4-[1-(2-ethynylhydrazinyl)-2-methylprop-1-enyl]-2-N-(3-phenylphenyl)benzene-1,2-diamine.
What is the SMILES notation for 4-[1-(2-ethynylhydrazinyl)-2-methylprop-1-enyl]-2-N-(3-phenylphenyl)benzene-1,2-diamine?
The canonical SMILES for 4-[1-(2-ethynylhydrazinyl)-2-methylprop-1-enyl]-2-N-(3-phenylphenyl)benzene-1,2-diamine is C#CNNC(=C(C)C)c1ccc(N)c(Nc2cccc(-c3ccccc3)c2)c1.
What is the InChIKey of 4-[1-(2-ethynylhydrazinyl)-2-methylprop-1-enyl]-2-N-(3-phenylphenyl)benzene-1,2-diamine?
The InChIKey is QHUYOLHAPRFCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4/c1-4-26-28-24(17(2)3)20-13-14-22(25)23(16-20)27-21-12-8-11-19(15-21)18-9-6-5-7-10-18/h1,5-16,26-28H,25H2,2-3H3.
What are the key properties of 4-[1-(2-ethynylhydrazinyl)-2-methylprop-1-enyl]-2-N-(3-phenylphenyl)benzene-1,2-diamine?
4-[1-(2-ethynylhydrazinyl)-2-methylprop-1-enyl]-2-N-(3-phenylphenyl)benzene-1,2-diamine has a molecular weight of 368.48 g/mol, XLogP of 5.12, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-ethynylhydrazinyl)-2-methylprop-1-enyl]-2-N-(3-phenylphenyl)benzene-1,2-diamine is sourced from PubChem (CID 88990919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).