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

C16H18N2 — CID 177496995

IUPAC(E)-2-N,2-N-diphenylbut-1-ene-1,2-diamine
SMILESCC/C(=C\N)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H18N2/c1-2-14(13-17)18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-13H,2,17H2,1H3/b14-13+
InChIKeyCOFGHKCRUQZJNO-BUHFOSPRSA-N
MW238.33 g/mol
LogP4.03
Rot. Bonds4

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

(E)-2-N,2-N-diphenylbut-1-ene-1,2-diamine (PubChem CID 177496995) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is (E)-2-N,2-N-diphenylbut-1-ene-1,2-diamine.

Molecular Properties

Compound Name(E)-2-N,2-N-diphenylbut-1-ene-1,2-diamine
PubChem CID177496995
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name(E)-2-N,2-N-diphenylbut-1-ene-1,2-diamine
SMILESCC/C(=C\N)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H18N2/c1-2-14(13-17)18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-13H,2,17H2,1H3/b14-13+
InChIKeyCOFGHKCRUQZJNO-BUHFOSPRSA-N
XLogP4.03
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 ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(Z)-2-phenylbut-1-en-1-amine
CID 142213019
4-[4-[4-[(2E,4E)-5-(N-phenylanilino)hepta-2,4-dien-2-yl]phenyl]phenyl]aniline
CID 142088031
butane;1,1-diphenylurea
CID 70397101
N-phenylpropanehydrazide
CID 18522904
ethane;3-fluoro-N-[(3E,5Z)-hepta-3,5-dien-3-yl]-N-phenylaniline
CID 145203867
1'-methyl-2-N,2-N,5-N',5-N',7-N,7-N-hexakis-phenyl-2'-[(E)-2-(N-phenylanilino)but-1-enyl]spiro[fluorene-9,3'-indene]-2,5',7-triamine
CID 154947548
(Z)-N,N-diphenylpent-2-enamide
CID 163563011
1-ethyl-1-methyl-3,3-diphenylurea
CID 67018920
3-ethoxy-1,1-diphenylurea
CID 162373128
1,1-diphenyl-3-[(Z)-2-phenylbut-1-enyl]sulfonylurea
CID 70606854
1,1-diphenylurea
CID 174849888
N,N-diethylaniline;hydrazine
CID 161037544

Frequently Asked Questions

What is the IUPAC name of (E)-2-N,2-N-diphenylbut-1-ene-1,2-diamine?
The IUPAC name of (E)-2-N,2-N-diphenylbut-1-ene-1,2-diamine (CID 177496995) is (E)-2-N,2-N-diphenylbut-1-ene-1,2-diamine.
What is the SMILES notation for (E)-2-N,2-N-diphenylbut-1-ene-1,2-diamine?
The canonical SMILES for (E)-2-N,2-N-diphenylbut-1-ene-1,2-diamine is CC/C(=C\N)N(c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-2-N,2-N-diphenylbut-1-ene-1,2-diamine?
The InChIKey is COFGHKCRUQZJNO-BUHFOSPRSA-N. The full InChI is InChI=1S/C16H18N2/c1-2-14(13-17)18(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-13H,2,17H2,1H3/b14-13+.
What are the key properties of (E)-2-N,2-N-diphenylbut-1-ene-1,2-diamine?
(E)-2-N,2-N-diphenylbut-1-ene-1,2-diamine has a molecular weight of 238.33 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-N,2-N-diphenylbut-1-ene-1,2-diamine is sourced from PubChem (CID 177496995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).