ethane;N'-[(Z)-2-(methylideneamino)-1,2-diphenylethenyl]ethanimidamide

C21H29N3 — CID 145436814

IUPACethane;N'-[(Z)-2-(methylideneamino)-1,2-diphenylethenyl]ethanimidamide
SMILESC=N/C(=C(\N=C(/C)N)c1ccccc1)c1ccccc1.CC.CC
InChIInChI=1S/C17H17N3.2C2H6/c1-13(18)20-17(15-11-7-4-8-12-15)16(19-2)14-9-5-3-6-10-14;2*1-2/h3-12H,2H2,1H3,(H2,18,20);2*1-2H3/b17-16-;;
InChIKeyJGPHSVZVCWRBME-LSSNYKSTSA-N
MW323.48 g/mol
LogP5.64
Rot. Bonds4

About ethane;N'-[(Z)-2-(methylideneamino)-1,2-diphenylethenyl]ethanimidamide

ethane;N'-[(Z)-2-(methylideneamino)-1,2-diphenylethenyl]ethanimidamide (PubChem CID 145436814) has the molecular formula C21H29N3 and a molecular weight of 323.48 g/mol. Its IUPAC name is ethane;N'-[(Z)-2-(methylideneamino)-1,2-diphenylethenyl]ethanimidamide.

Molecular Properties

Compound Nameethane;N'-[(Z)-2-(methylideneamino)-1,2-diphenylethenyl]ethanimidamide
PubChem CID145436814
Molecular FormulaC21H29N3
Molecular Weight323.48 g/mol
Exact Mass323.24
IUPAC Nameethane;N'-[(Z)-2-(methylideneamino)-1,2-diphenylethenyl]ethanimidamide
SMILESC=N/C(=C(\N=C(/C)N)c1ccccc1)c1ccccc1.CC.CC
InChIInChI=1S/C17H17N3.2C2H6/c1-13(18)20-17(15-11-7-4-8-12-15)16(19-2)14-9-5-3-6-10-14;2*1-2/h3-12H,2H2,1H3,(H2,18,20);2*1-2H3/b17-16-;;
InChIKeyJGPHSVZVCWRBME-LSSNYKSTSA-N
XLogP5.64
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.48
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze ethane;N'-[(Z)-2-(methylideneamino)-1,2-diphenylethenyl]ethanimidamide with MolForge

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

Launch Full Analysis

Related Compounds

(Z)-2-(methylideneamino)-1-(2-methylpropylsulfanyl)-2-phenylethenamine
CID 143726609
N-(4-hydroxybutyl)-N'-[(Z)-2-(methylideneamino)-1,2-diphenylethenyl]-N-propan-2-ylethanimidamide
CID 134217388
N-(2-methyl-1-phenylprop-1-enyl)-1-phenylethanimine
CID 144645391
N'-(benzhydrylideneamino)ethanimidamide
CID 11128320
ethane;tris(prop-1-en-2-ylbenzene)
CID 161299444
ethane;molecular hydrogen;1-phenylethenamine
CID 156816097
ethene;N'-methylbenzenecarboximidamide
CID 142294327
N'-methyl-2-(1-phenylethenylimino)propanimidamide
CID 123327776
(E)-2,3-dimethyl-N-(methylideneamino)-1-phenylbut-1-en-1-amine
CID 156522918
N'-(N-benzyl-C-methylcarbonimidoyl)-N-methylidenebenzenecarboximidamide;ethane
CID 144831026
N-[(1E,4Z)-2-ethenyl-1-phenylhexa-1,4-dienyl]methanimine
CID 144631857
N'-[1-(4-fluorophenyl)ethenyl]ethanimidamide
CID 154967900

Frequently Asked Questions

What is the IUPAC name of ethane;N'-[(Z)-2-(methylideneamino)-1,2-diphenylethenyl]ethanimidamide?
The IUPAC name of ethane;N'-[(Z)-2-(methylideneamino)-1,2-diphenylethenyl]ethanimidamide (CID 145436814) is ethane;N'-[(Z)-2-(methylideneamino)-1,2-diphenylethenyl]ethanimidamide.
What is the SMILES notation for ethane;N'-[(Z)-2-(methylideneamino)-1,2-diphenylethenyl]ethanimidamide?
The canonical SMILES for ethane;N'-[(Z)-2-(methylideneamino)-1,2-diphenylethenyl]ethanimidamide is C=N/C(=C(\N=C(/C)N)c1ccccc1)c1ccccc1.CC.CC.
What is the InChIKey of ethane;N'-[(Z)-2-(methylideneamino)-1,2-diphenylethenyl]ethanimidamide?
The InChIKey is JGPHSVZVCWRBME-LSSNYKSTSA-N. The full InChI is InChI=1S/C17H17N3.2C2H6/c1-13(18)20-17(15-11-7-4-8-12-15)16(19-2)14-9-5-3-6-10-14;2*1-2/h3-12H,2H2,1H3,(H2,18,20);2*1-2H3/b17-16-;;.
What are the key properties of ethane;N'-[(Z)-2-(methylideneamino)-1,2-diphenylethenyl]ethanimidamide?
ethane;N'-[(Z)-2-(methylideneamino)-1,2-diphenylethenyl]ethanimidamide has a molecular weight of 323.48 g/mol, XLogP of 5.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N'-[(Z)-2-(methylideneamino)-1,2-diphenylethenyl]ethanimidamide is sourced from PubChem (CID 145436814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).