ethene;(Z)-N-ethyl-1-phenylbut-2-en-2-amine

C16H25N — CID 145328256

IUPACethene;(Z)-N-ethyl-1-phenylbut-2-en-2-amine
SMILESC/C=C(/Cc1ccccc1)NCC.C=C.C=C
InChIInChI=1S/C12H17N.2C2H4/c1-3-12(13-4-2)10-11-8-6-5-7-9-11;2*1-2/h3,5-9,13H,4,10H2,1-2H3;2*1-2H2/b12-3-;;
InChIKeyIMDZJBIFYOFSDJ-WRHBBANNSA-N
MW231.38 g/mol
LogP4.35
Rot. Bonds4

About ethene;(Z)-N-ethyl-1-phenylbut-2-en-2-amine

ethene;(Z)-N-ethyl-1-phenylbut-2-en-2-amine (PubChem CID 145328256) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is ethene;(Z)-N-ethyl-1-phenylbut-2-en-2-amine.

Molecular Properties

Compound Nameethene;(Z)-N-ethyl-1-phenylbut-2-en-2-amine
PubChem CID145328256
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Nameethene;(Z)-N-ethyl-1-phenylbut-2-en-2-amine
SMILESC/C=C(/Cc1ccccc1)NCC.C=C.C=C
InChIInChI=1S/C12H17N.2C2H4/c1-3-12(13-4-2)10-11-8-6-5-7-9-11;2*1-2/h3,5-9,13H,4,10H2,1-2H3;2*1-2H2/b12-3-;;
InChIKeyIMDZJBIFYOFSDJ-WRHBBANNSA-N
XLogP4.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-1-phenylbut-2-en-2-yl]acetamide
CID 174681056
ethane;N-ethyl-2-phenylacetamide;molecular hydrogen
CID 167457544
(E)-1-phenylbut-2-en-2-ol
CID 170790149
[(Z)-2-methylbut-2-enyl]benzene
CID 59870366
[(E)-1-phenylbut-2-en-2-yl]benzene
CID 6152777
1-phenylbut-2-en-2-amine
CID 68995045
2-methylidenebutylbenzene
CID 10964655
N-ethylethanamine;2-phenylacetic acid
CID 143630479
(E)-1,4-diphenyl-3-(propylamino)but-2-en-1-one
CID 11414802
tert-butyl N-[[(Z)-1-phenylbut-2-en-2-yl]amino]carbamate
CID 21186039
(Z)-4-[2-[[(E)-4-oxo-1,5-diphenylpent-2-en-2-yl]amino]ethylamino]-1,5-diphenylpent-3-en-2-one
CID 177397083
N-benzyl-4-methylpent-2-en-3-amine
CID 118670841

Frequently Asked Questions

What is the IUPAC name of ethene;(Z)-N-ethyl-1-phenylbut-2-en-2-amine?
The IUPAC name of ethene;(Z)-N-ethyl-1-phenylbut-2-en-2-amine (CID 145328256) is ethene;(Z)-N-ethyl-1-phenylbut-2-en-2-amine.
What is the SMILES notation for ethene;(Z)-N-ethyl-1-phenylbut-2-en-2-amine?
The canonical SMILES for ethene;(Z)-N-ethyl-1-phenylbut-2-en-2-amine is C/C=C(/Cc1ccccc1)NCC.C=C.C=C.
What is the InChIKey of ethene;(Z)-N-ethyl-1-phenylbut-2-en-2-amine?
The InChIKey is IMDZJBIFYOFSDJ-WRHBBANNSA-N. The full InChI is InChI=1S/C12H17N.2C2H4/c1-3-12(13-4-2)10-11-8-6-5-7-9-11;2*1-2/h3,5-9,13H,4,10H2,1-2H3;2*1-2H2/b12-3-;;.
What are the key properties of ethene;(Z)-N-ethyl-1-phenylbut-2-en-2-amine?
ethene;(Z)-N-ethyl-1-phenylbut-2-en-2-amine has a molecular weight of 231.38 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;(Z)-N-ethyl-1-phenylbut-2-en-2-amine is sourced from PubChem (CID 145328256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).