(E)-1-N,1-N-diphenylbut-1-ene-1,3-diamine

C16H18N2 — CID 101288981

IUPAC(E)-1-N,1-N-diphenylbut-1-ene-1,3-diamine
SMILESCC(N)/C=C/N(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H18N2/c1-14(17)12-13-18(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-14H,17H2,1H3/b13-12+
InChIKeyJIRIPJUDTMFCLQ-OUKQBFOZSA-N
MW238.33 g/mol
LogP3.69
Rot. Bonds4

About (E)-1-N,1-N-diphenylbut-1-ene-1,3-diamine

(E)-1-N,1-N-diphenylbut-1-ene-1,3-diamine (PubChem CID 101288981) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is (E)-1-N,1-N-diphenylbut-1-ene-1,3-diamine.

Molecular Properties

Compound Name(E)-1-N,1-N-diphenylbut-1-ene-1,3-diamine
PubChem CID101288981
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name(E)-1-N,1-N-diphenylbut-1-ene-1,3-diamine
SMILESCC(N)/C=C/N(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H18N2/c1-14(17)12-13-18(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-14H,17H2,1H3/b13-12+
InChIKeyJIRIPJUDTMFCLQ-OUKQBFOZSA-N
XLogP3.69
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-1-N,1-N-diphenylbut-1-ene-1,3-diamine?
The IUPAC name of (E)-1-N,1-N-diphenylbut-1-ene-1,3-diamine (CID 101288981) is (E)-1-N,1-N-diphenylbut-1-ene-1,3-diamine.
What is the SMILES notation for (E)-1-N,1-N-diphenylbut-1-ene-1,3-diamine?
The canonical SMILES for (E)-1-N,1-N-diphenylbut-1-ene-1,3-diamine is CC(N)/C=C/N(c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-1-N,1-N-diphenylbut-1-ene-1,3-diamine?
The InChIKey is JIRIPJUDTMFCLQ-OUKQBFOZSA-N. The full InChI is InChI=1S/C16H18N2/c1-14(17)12-13-18(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-14H,17H2,1H3/b13-12+.
What are the key properties of (E)-1-N,1-N-diphenylbut-1-ene-1,3-diamine?
(E)-1-N,1-N-diphenylbut-1-ene-1,3-diamine has a molecular weight of 238.33 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-N,1-N-diphenylbut-1-ene-1,3-diamine is sourced from PubChem (CID 101288981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).