1,4-diphenylbut-2-ene-2,3-diamine

C16H18N2 — CID 67744417

IUPAC1,4-diphenylbut-2-ene-2,3-diamine
SMILESNC(Cc1ccccc1)=C(N)Cc1ccccc1
InChIInChI=1S/C16H18N2/c17-15(11-13-7-3-1-4-8-13)16(18)12-14-9-5-2-6-10-14/h1-10H,11-12,17-18H2
InChIKeyCKJOHEAQEIBCDX-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.60
Rot. Bonds4

About 1,4-diphenylbut-2-ene-2,3-diamine

1,4-diphenylbut-2-ene-2,3-diamine (PubChem CID 67744417) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1,4-diphenylbut-2-ene-2,3-diamine.

Molecular Properties

Compound Name1,4-diphenylbut-2-ene-2,3-diamine
PubChem CID67744417
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name1,4-diphenylbut-2-ene-2,3-diamine
SMILESNC(Cc1ccccc1)=C(N)Cc1ccccc1
InChIInChI=1S/C16H18N2/c17-15(11-13-7-3-1-4-8-13)16(18)12-14-9-5-2-6-10-14/h1-10H,11-12,17-18H2
InChIKeyCKJOHEAQEIBCDX-UHFFFAOYSA-N
XLogP2.60
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 23499817
1-phenylbut-2-en-2-amine
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(2Z,4E,6Z)-1,8-diphenylocta-2,4,6-triene-2,7-diamine
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CID 27787
2-benzyl-3,3-dihydroxyprop-2-enamide
CID 174845714
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1,3-diphenylpropan-2-ylidenezirconium(2+)
CID 22171883
[(E)-2,3-dichloro-4-phenylbut-2-enyl]benzene
CID 10588550
[(Z)-2,3-dibromo-4-phenylbut-2-enyl]benzene
CID 98512768
1,3-diphenyl(213C)propan-2-one
CID 100945080
acetic acid;2-oxo-3-phenylpropanamide
CID 143555968

Frequently Asked Questions

What is the IUPAC name of 1,4-diphenylbut-2-ene-2,3-diamine?
The IUPAC name of 1,4-diphenylbut-2-ene-2,3-diamine (CID 67744417) is 1,4-diphenylbut-2-ene-2,3-diamine.
What is the SMILES notation for 1,4-diphenylbut-2-ene-2,3-diamine?
The canonical SMILES for 1,4-diphenylbut-2-ene-2,3-diamine is NC(Cc1ccccc1)=C(N)Cc1ccccc1.
What is the InChIKey of 1,4-diphenylbut-2-ene-2,3-diamine?
The InChIKey is CKJOHEAQEIBCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2/c17-15(11-13-7-3-1-4-8-13)16(18)12-14-9-5-2-6-10-14/h1-10H,11-12,17-18H2.
What are the key properties of 1,4-diphenylbut-2-ene-2,3-diamine?
1,4-diphenylbut-2-ene-2,3-diamine has a molecular weight of 238.33 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diphenylbut-2-ene-2,3-diamine is sourced from PubChem (CID 67744417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).