(Z)-N-benzyl-2-(methylideneamino)-1,2-diphenylethenamine;ethane

C24H26N2 — CID 144690757

IUPAC(Z)-N-benzyl-2-(methylideneamino)-1,2-diphenylethenamine;ethane
SMILESC=N/C(=C(\NCc1ccccc1)c1ccccc1)c1ccccc1.CC
InChIInChI=1S/C22H20N2.C2H6/c1-23-21(19-13-7-3-8-14-19)22(20-15-9-4-10-16-20)24-17-18-11-5-2-6-12-18;1-2/h2-16,24H,1,17H2;1-2H3/b22-21-;
InChIKeyKDVYEQNPRJPRSU-SVXKRPBISA-N
MW342.49 g/mol
LogP6.03
Rot. Bonds6

About (Z)-N-benzyl-2-(methylideneamino)-1,2-diphenylethenamine;ethane

(Z)-N-benzyl-2-(methylideneamino)-1,2-diphenylethenamine;ethane (PubChem CID 144690757) has the molecular formula C24H26N2 and a molecular weight of 342.49 g/mol. Its IUPAC name is (Z)-N-benzyl-2-(methylideneamino)-1,2-diphenylethenamine;ethane.

Molecular Properties

Compound Name(Z)-N-benzyl-2-(methylideneamino)-1,2-diphenylethenamine;ethane
PubChem CID144690757
Molecular FormulaC24H26N2
Molecular Weight342.49 g/mol
Exact Mass342.21
IUPAC Name(Z)-N-benzyl-2-(methylideneamino)-1,2-diphenylethenamine;ethane
SMILESC=N/C(=C(\NCc1ccccc1)c1ccccc1)c1ccccc1.CC
InChIInChI=1S/C22H20N2.C2H6/c1-23-21(19-13-7-3-8-14-19)22(20-15-9-4-10-16-20)24-17-18-11-5-2-6-12-18;1-2/h2-16,24H,1,17H2;1-2H3/b22-21-;
InChIKeyKDVYEQNPRJPRSU-SVXKRPBISA-N
XLogP6.03
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.49
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;N'-[(Z)-2-(methylideneamino)-1,2-diphenylethenyl]ethanimidamide
CID 145436814
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(Z)-2-(methylideneamino)-1-(2-methylpropylsulfanyl)-2-phenylethenamine
CID 143726609
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(E)-1-(benzylamino)-2-phenyl-1-[4-(trifluoromethyl)phenyl]hept-1-en-3-one
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CID 90875099
N-benzylethanethioamide
CID 3598879
N-benzyl-2-methylprop-2-enamide;hydrazine
CID 157480946
1-benzyl-3-methylurea;ethane
CID 90763782
(1E)-N-benzyl-1-(methylideneamino)buta-1,3-dien-2-amine
CID 156645928
(2Z)-N-benzyl-2-hydroxyimino-2-phenylacetamide
CID 6401232
N-(benzylcarbamothioyl)benzamide
CID 700976

Frequently Asked Questions

What is the IUPAC name of (Z)-N-benzyl-2-(methylideneamino)-1,2-diphenylethenamine;ethane?
The IUPAC name of (Z)-N-benzyl-2-(methylideneamino)-1,2-diphenylethenamine;ethane (CID 144690757) is (Z)-N-benzyl-2-(methylideneamino)-1,2-diphenylethenamine;ethane.
What is the SMILES notation for (Z)-N-benzyl-2-(methylideneamino)-1,2-diphenylethenamine;ethane?
The canonical SMILES for (Z)-N-benzyl-2-(methylideneamino)-1,2-diphenylethenamine;ethane is C=N/C(=C(\NCc1ccccc1)c1ccccc1)c1ccccc1.CC.
What is the InChIKey of (Z)-N-benzyl-2-(methylideneamino)-1,2-diphenylethenamine;ethane?
The InChIKey is KDVYEQNPRJPRSU-SVXKRPBISA-N. The full InChI is InChI=1S/C22H20N2.C2H6/c1-23-21(19-13-7-3-8-14-19)22(20-15-9-4-10-16-20)24-17-18-11-5-2-6-12-18;1-2/h2-16,24H,1,17H2;1-2H3/b22-21-;.
What are the key properties of (Z)-N-benzyl-2-(methylideneamino)-1,2-diphenylethenamine;ethane?
(Z)-N-benzyl-2-(methylideneamino)-1,2-diphenylethenamine;ethane has a molecular weight of 342.49 g/mol, XLogP of 6.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-benzyl-2-(methylideneamino)-1,2-diphenylethenamine;ethane is sourced from PubChem (CID 144690757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).