(E)-1-N-butyl-1-N'-(4-methylphenyl)-2-phenylethene-1,1-diamine

C19H24N2 — CID 177442927

IUPAC(E)-1-N-butyl-1-N'-(4-methylphenyl)-2-phenylethene-1,1-diamine
SMILESCCCCN/C(=C\c1ccccc1)Nc1ccc(C)cc1
InChIInChI=1S/C19H24N2/c1-3-4-14-20-19(15-17-8-6-5-7-9-17)21-18-12-10-16(2)11-13-18/h5-13,15,20-21H,3-4,14H2,1-2H3/b19-15+
InChIKeyPANTVFDIJNRHSL-XDJHFCHBSA-N
MW280.42 g/mol
LogP4.80
Rot. Bonds7

About (E)-1-N-butyl-1-N'-(4-methylphenyl)-2-phenylethene-1,1-diamine

(E)-1-N-butyl-1-N'-(4-methylphenyl)-2-phenylethene-1,1-diamine (PubChem CID 177442927) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is (E)-1-N-butyl-1-N'-(4-methylphenyl)-2-phenylethene-1,1-diamine.

Molecular Properties

Compound Name(E)-1-N-butyl-1-N'-(4-methylphenyl)-2-phenylethene-1,1-diamine
PubChem CID177442927
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC Name(E)-1-N-butyl-1-N'-(4-methylphenyl)-2-phenylethene-1,1-diamine
SMILESCCCCN/C(=C\c1ccccc1)Nc1ccc(C)cc1
InChIInChI=1S/C19H24N2/c1-3-4-14-20-19(15-17-8-6-5-7-9-17)21-18-12-10-16(2)11-13-18/h5-13,15,20-21H,3-4,14H2,1-2H3/b19-15+
InChIKeyPANTVFDIJNRHSL-XDJHFCHBSA-N
XLogP4.80
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-N-butyl-1-N',2-diphenylethene-1,1-diamine
CID 177403210
(Z)-1-(butylamino)-2-phenylethenol
CID 134892949
N-[(E)-1,2-diphenylethenyl]butan-1-amine
CID 143156717
1-N-butyl-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109043732
1-dodecyl-3-[(Z)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]thiourea
CID 5356611
1-hexadecyl-3-[(Z)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]thiourea
CID 5356298
N-butyl-N'-phenyloxamide
CID 2290889
N-butyl-2-[2-(4-methylanilino)-2-oxoethoxy]acetamide
CID 4694962
N'-butyl-N-(4-methylphenyl)-2-phenylethanimidamide
CID 102183078
4-butoxy-N-[(E)-3-(4-methylanilino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 2257783
N-(4-methylphenyl)pentanamide
CID 3662375
N-(benzylideneamino)butan-1-amine
CID 173252252

Frequently Asked Questions

What is the IUPAC name of (E)-1-N-butyl-1-N'-(4-methylphenyl)-2-phenylethene-1,1-diamine?
The IUPAC name of (E)-1-N-butyl-1-N'-(4-methylphenyl)-2-phenylethene-1,1-diamine (CID 177442927) is (E)-1-N-butyl-1-N'-(4-methylphenyl)-2-phenylethene-1,1-diamine.
What is the SMILES notation for (E)-1-N-butyl-1-N'-(4-methylphenyl)-2-phenylethene-1,1-diamine?
The canonical SMILES for (E)-1-N-butyl-1-N'-(4-methylphenyl)-2-phenylethene-1,1-diamine is CCCCN/C(=C\c1ccccc1)Nc1ccc(C)cc1.
What is the InChIKey of (E)-1-N-butyl-1-N'-(4-methylphenyl)-2-phenylethene-1,1-diamine?
The InChIKey is PANTVFDIJNRHSL-XDJHFCHBSA-N. The full InChI is InChI=1S/C19H24N2/c1-3-4-14-20-19(15-17-8-6-5-7-9-17)21-18-12-10-16(2)11-13-18/h5-13,15,20-21H,3-4,14H2,1-2H3/b19-15+.
What are the key properties of (E)-1-N-butyl-1-N'-(4-methylphenyl)-2-phenylethene-1,1-diamine?
(E)-1-N-butyl-1-N'-(4-methylphenyl)-2-phenylethene-1,1-diamine has a molecular weight of 280.42 g/mol, XLogP of 4.80, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-N-butyl-1-N'-(4-methylphenyl)-2-phenylethene-1,1-diamine is sourced from PubChem (CID 177442927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).