(E)-1-N-butyl-1-N',2-diphenylethene-1,1-diamine

C18H22N2 — CID 177403210

IUPAC(E)-1-N-butyl-1-N',2-diphenylethene-1,1-diamine
SMILESCCCCN/C(=C\c1ccccc1)Nc1ccccc1
InChIInChI=1S/C18H22N2/c1-2-3-14-19-18(15-16-10-6-4-7-11-16)20-17-12-8-5-9-13-17/h4-13,15,19-20H,2-3,14H2,1H3/b18-15+
InChIKeyVGCNRSHDTZASNY-OBGWFSINSA-N
MW266.39 g/mol
LogP4.49
Rot. Bonds7

About (E)-1-N-butyl-1-N',2-diphenylethene-1,1-diamine

(E)-1-N-butyl-1-N',2-diphenylethene-1,1-diamine (PubChem CID 177403210) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is (E)-1-N-butyl-1-N',2-diphenylethene-1,1-diamine.

Molecular Properties

Compound Name(E)-1-N-butyl-1-N',2-diphenylethene-1,1-diamine
PubChem CID177403210
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name(E)-1-N-butyl-1-N',2-diphenylethene-1,1-diamine
SMILESCCCCN/C(=C\c1ccccc1)Nc1ccccc1
InChIInChI=1S/C18H22N2/c1-2-3-14-19-18(15-16-10-6-4-7-11-16)20-17-12-8-5-9-13-17/h4-13,15,19-20H,2-3,14H2,1H3/b18-15+
InChIKeyVGCNRSHDTZASNY-OBGWFSINSA-N
XLogP4.49
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 54.49
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'-(4-methylphenyl)-2-phenylethene-1,1-diamine
CID 177442927
(Z)-1-(butylamino)-2-phenylethenol
CID 134892949
N-[(E)-1,2-diphenylethenyl]butan-1-amine
CID 143156717
N-butyl-N'-phenyloxamide
CID 2290889
1-N-butyl-2-N-phenylbenzene-1,2-dicarboxamide
CID 13492483
1-dodecyl-3-phenylurea
CID 3697946
1-(butylamino)-2-pyridin-3-ylethenol
CID 71416550
1-N-butyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108971062
1-amino-2-pentyl-3-phenylguanidine
CID 116511896
N'-[(E)-benzylideneamino]-N-butylhexanediamide
CID 171980947
1-[(Z)-octadec-9-enyl]-3-phenylthiourea
CID 155242561
2-methoxy-N-octyl-3-phenylprop-2-enamide
CID 69178102

Frequently Asked Questions

What is the IUPAC name of (E)-1-N-butyl-1-N',2-diphenylethene-1,1-diamine?
The IUPAC name of (E)-1-N-butyl-1-N',2-diphenylethene-1,1-diamine (CID 177403210) is (E)-1-N-butyl-1-N',2-diphenylethene-1,1-diamine.
What is the SMILES notation for (E)-1-N-butyl-1-N',2-diphenylethene-1,1-diamine?
The canonical SMILES for (E)-1-N-butyl-1-N',2-diphenylethene-1,1-diamine is CCCCN/C(=C\c1ccccc1)Nc1ccccc1.
What is the InChIKey of (E)-1-N-butyl-1-N',2-diphenylethene-1,1-diamine?
The InChIKey is VGCNRSHDTZASNY-OBGWFSINSA-N. The full InChI is InChI=1S/C18H22N2/c1-2-3-14-19-18(15-16-10-6-4-7-11-16)20-17-12-8-5-9-13-17/h4-13,15,19-20H,2-3,14H2,1H3/b18-15+.
What are the key properties of (E)-1-N-butyl-1-N',2-diphenylethene-1,1-diamine?
(E)-1-N-butyl-1-N',2-diphenylethene-1,1-diamine has a molecular weight of 266.39 g/mol, XLogP of 4.49, 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',2-diphenylethene-1,1-diamine is sourced from PubChem (CID 177403210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).