(E)-N,N'-diphenylbut-2-ene-1,4-diamine

C16H18N2 — CID 101288969

IUPAC(E)-N,N'-diphenylbut-2-ene-1,4-diamine
SMILESC(=C/CNc1ccccc1)\CNc1ccccc1
InChIInChI=1S/C16H18N2/c1-3-9-15(10-4-1)17-13-7-8-14-18-16-11-5-2-6-12-16/h1-12,17-18H,13-14H2/b8-7+
InChIKeyVBFKCONKVJDDEC-BQYQJAHWSA-N
MW238.33 g/mol
LogP3.77
Rot. Bonds6

About (E)-N,N'-diphenylbut-2-ene-1,4-diamine

(E)-N,N'-diphenylbut-2-ene-1,4-diamine (PubChem CID 101288969) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is (E)-N,N'-diphenylbut-2-ene-1,4-diamine.

Molecular Properties

Compound Name(E)-N,N'-diphenylbut-2-ene-1,4-diamine
PubChem CID101288969
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name(E)-N,N'-diphenylbut-2-ene-1,4-diamine
SMILESC(=C/CNc1ccccc1)\CNc1ccccc1
InChIInChI=1S/C16H18N2/c1-3-9-15(10-4-1)17-13-7-8-14-18-16-11-5-2-6-12-16/h1-12,17-18H,13-14H2/b8-7+
InChIKeyVBFKCONKVJDDEC-BQYQJAHWSA-N
XLogP3.77
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N'-diphenylbut-2-ene-1,4-diamine;ethane;N-prop-2-enylaniline
CID 159867167
N,N'-diphenylpenta-1,3-diene-1,5-diamine;hydrochloride
CID 156769012
5-anilino-1-phenyliminopenta-1,3-dien-2-ol;hydrochloride
CID 176529986
zinc;N-(2-diazoethyl)aniline;dichloride
CID 173405510
CID 163931246
CID 163931246
(Z)-4-anilino-2-phenylbut-2-en-1-ol
CID 177431332
N-ethylaniline;formamide
CID 174905180
N-(bromomethyl)aniline
CID 66636223
disodium;N,N'-diphenylethane-1,2-diamine;hydride
CID 173210842
N-(silyloxymethyl)aniline
CID 123201342
3-iodo-N-(3-phenylprop-2-enyl)aniline
CID 76997519
N-benzyl-N'-phenylmethanediamine
CID 151589453

Frequently Asked Questions

What is the IUPAC name of (E)-N,N'-diphenylbut-2-ene-1,4-diamine?
The IUPAC name of (E)-N,N'-diphenylbut-2-ene-1,4-diamine (CID 101288969) is (E)-N,N'-diphenylbut-2-ene-1,4-diamine.
What is the SMILES notation for (E)-N,N'-diphenylbut-2-ene-1,4-diamine?
The canonical SMILES for (E)-N,N'-diphenylbut-2-ene-1,4-diamine is C(=C/CNc1ccccc1)\CNc1ccccc1.
What is the InChIKey of (E)-N,N'-diphenylbut-2-ene-1,4-diamine?
The InChIKey is VBFKCONKVJDDEC-BQYQJAHWSA-N. The full InChI is InChI=1S/C16H18N2/c1-3-9-15(10-4-1)17-13-7-8-14-18-16-11-5-2-6-12-16/h1-12,17-18H,13-14H2/b8-7+.
What are the key properties of (E)-N,N'-diphenylbut-2-ene-1,4-diamine?
(E)-N,N'-diphenylbut-2-ene-1,4-diamine has a molecular weight of 238.33 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N'-diphenylbut-2-ene-1,4-diamine is sourced from PubChem (CID 101288969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).