ethane;(Z)-4-imino-3-methyl-4-phenylbut-2-en-2-amine

C13H20N2 — CID 144506172

IUPACethane;(Z)-4-imino-3-methyl-4-phenylbut-2-en-2-amine
SMILESCC.[H]/N=C(C(\C)=C(\C)N)/c1ccccc1
InChIInChI=1S/C11H14N2.C2H6/c1-8(9(2)12)11(13)10-6-4-3-5-7-10;1-2/h3-7,13H,12H2,1-2H3;1-2H3/b9-8-,13-11+;
InChIKeyCBJLGMBPFYWCRW-IRSLUIOHSA-N
MW204.32 g/mol
LogP3.33
Rot. Bonds2

About ethane;(Z)-4-imino-3-methyl-4-phenylbut-2-en-2-amine

ethane;(Z)-4-imino-3-methyl-4-phenylbut-2-en-2-amine (PubChem CID 144506172) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is ethane;(Z)-4-imino-3-methyl-4-phenylbut-2-en-2-amine.

Molecular Properties

Compound Nameethane;(Z)-4-imino-3-methyl-4-phenylbut-2-en-2-amine
PubChem CID144506172
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Nameethane;(Z)-4-imino-3-methyl-4-phenylbut-2-en-2-amine
SMILESCC.[H]/N=C(C(\C)=C(\C)N)/c1ccccc1
InChIInChI=1S/C11H14N2.C2H6/c1-8(9(2)12)11(13)10-6-4-3-5-7-10;1-2/h3-7,13H,12H2,1-2H3;1-2H3/b9-8-,13-11+;
InChIKeyCBJLGMBPFYWCRW-IRSLUIOHSA-N
XLogP3.33
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-imino-2-phenylacetamide
CID 18431878
ethane;1-phenylethanimine
CID 91121262
benzenecarboximidamide;sulfane
CID 172701796
3-(benzenecarboximidoyl)-4-hydroxybut-3-en-2-one
CID 154405896
(Z)-3-amino-2-(4-phenoxybenzenecarboximidoyl)but-2-enenitrile
CID 130470422
N,N'-diamino-2-imino-N-methyl-2-phenylethanimidamide
CID 89349684
benzenecarboximidamide;hydron;chloride
CID 66824376
benzenecarboximidamide;toluene
CID 158219006
benzenecarboximidamide;trimethylsulfanium;chloride
CID 158339380
(Z)-1-(4-fluorophenyl)-1-imino-2,4-dimethylpent-2-en-3-amine
CID 118554911
3-imino-2,3-diphenylprop-1-en-1-one
CID 11447363
ethanimidoyl benzenecarboximidate
CID 130459009

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-4-imino-3-methyl-4-phenylbut-2-en-2-amine?
The IUPAC name of ethane;(Z)-4-imino-3-methyl-4-phenylbut-2-en-2-amine (CID 144506172) is ethane;(Z)-4-imino-3-methyl-4-phenylbut-2-en-2-amine.
What is the SMILES notation for ethane;(Z)-4-imino-3-methyl-4-phenylbut-2-en-2-amine?
The canonical SMILES for ethane;(Z)-4-imino-3-methyl-4-phenylbut-2-en-2-amine is CC.[H]/N=C(C(\C)=C(\C)N)/c1ccccc1.
What is the InChIKey of ethane;(Z)-4-imino-3-methyl-4-phenylbut-2-en-2-amine?
The InChIKey is CBJLGMBPFYWCRW-IRSLUIOHSA-N. The full InChI is InChI=1S/C11H14N2.C2H6/c1-8(9(2)12)11(13)10-6-4-3-5-7-10;1-2/h3-7,13H,12H2,1-2H3;1-2H3/b9-8-,13-11+;.
What are the key properties of ethane;(Z)-4-imino-3-methyl-4-phenylbut-2-en-2-amine?
ethane;(Z)-4-imino-3-methyl-4-phenylbut-2-en-2-amine has a molecular weight of 204.32 g/mol, XLogP of 3.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-4-imino-3-methyl-4-phenylbut-2-en-2-amine is sourced from PubChem (CID 144506172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).