ethene;ethylbenzene;3-ethyl-N,4-dimethylaniline;N-hex-1-en-2-yl-N',3-dimethylbut-2-enimidamide;prop-1-ene

C35H57N3 — CID 143316347

IUPACethene;ethylbenzene;3-ethyl-N,4-dimethylaniline;N-hex-1-en-2-yl-N',3-dimethylbut-2-enimidamide;prop-1-ene
SMILESC=C.C=C(CCCC)N/C(C=C(C)C)=N/C.C=CC.CCc1cc(NC)ccc1C.CCc1ccccc1
InChIInChI=1S/C12H22N2.C10H15N.C8H10.C3H6.C2H4/c1-6-7-8-11(4)14-12(13-5)9-10(2)3;1-4-9-7-10(11-3)6-5-8(9)2;1-2-8-6-4-3-5-7-8;1-3-2;1-2/h9H,4,6-8H2,1-3,5H3,(H,13,14);5-7,11H,4H2,1-3H3;3-7H,2H2,1H3;3H,1H2,2H3;1-2H2
InChIKeyIMONDDCEUPZLCF-UHFFFAOYSA-N
MW519.86 g/mol
LogP10.12
Rot. Bonds8

About ethene;ethylbenzene;3-ethyl-N,4-dimethylaniline;N-hex-1-en-2-yl-N',3-dimethylbut-2-enimidamide;prop-1-ene

ethene;ethylbenzene;3-ethyl-N,4-dimethylaniline;N-hex-1-en-2-yl-N',3-dimethylbut-2-enimidamide;prop-1-ene (PubChem CID 143316347) has the molecular formula C35H57N3 and a molecular weight of 519.86 g/mol. Its IUPAC name is ethene;ethylbenzene;3-ethyl-N,4-dimethylaniline;N-hex-1-en-2-yl-N',3-dimethylbut-2-enimidamide;prop-1-ene.

Molecular Properties

Compound Nameethene;ethylbenzene;3-ethyl-N,4-dimethylaniline;N-hex-1-en-2-yl-N',3-dimethylbut-2-enimidamide;prop-1-ene
PubChem CID143316347
Molecular FormulaC35H57N3
Molecular Weight519.86 g/mol
Exact Mass519.46
IUPAC Nameethene;ethylbenzene;3-ethyl-N,4-dimethylaniline;N-hex-1-en-2-yl-N',3-dimethylbut-2-enimidamide;prop-1-ene
SMILESC=C.C=C(CCCC)N/C(C=C(C)C)=N/C.C=CC.CCc1cc(NC)ccc1C.CCc1ccccc1
InChIInChI=1S/C12H22N2.C10H15N.C8H10.C3H6.C2H4/c1-6-7-8-11(4)14-12(13-5)9-10(2)3;1-4-9-7-10(11-3)6-5-8(9)2;1-2-8-6-4-3-5-7-8;1-3-2;1-2/h9H,4,6-8H2,1-3,5H3,(H,13,14);5-7,11H,4H2,1-3H3;3-7H,2H2,1H3;3H,1H2,2H3;1-2H2
InChIKeyIMONDDCEUPZLCF-UHFFFAOYSA-N
XLogP10.12
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.86
LogP ≤ 510.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze ethene;ethylbenzene;3-ethyl-N,4-dimethylaniline;N-hex-1-en-2-yl-N',3-dimethylbut-2-enimidamide;prop-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,5-dimethyl-1-thiophen-2-ylhex-4-en-3-imine;ethenamine;ethylbenzene;2-ethyl-1,4-dimethylbenzene
CID 143316609
3-ethyl-4-[4-(hex-1-en-2-ylamino)but-1-en-2-yl]-N-methylaniline
CID 170073181
(3Z)-1-(3-ethyl-4-methylphenyl)-5-methyl-N-prop-1-en-2-ylhexa-3,5-dien-3-amine;N-methyl-1-phenylethanimine
CID 143995489
N',3-dimethyl-N-(4-pyridin-2-ylbut-1-en-2-yl)but-2-enimidamide
CID 143316373
3-ethyl-4-methyl-N-(2-phenylethyl)aniline
CID 114250176
N,N-diethyl-2,6-dimethyl-4-methyliminohept-5-en-1-amine;ethane;ethenamine;ethylbenzene;1-ethyl-2-methylbenzene
CID 143316731
N-but-1-en-2-yl-3-ethyl-4-methylaniline
CID 155049153
ethylbenzene;2-methylbut-2-ene
CID 145143829
2,3-dimethylbuta-1,3-diene;ethylbenzene;methane;octane
CID 145403273
ethane;ethylbenzene;N-methyl-2-methylidenebut-3-en-1-amine;pentane
CID 144677140
formaldehyde;2-[3-[2-methyl-5-(methylamino)phenyl]propyl]hexan-1-ol
CID 145109835
2-methylidenehexanoic acid;prop-2-enylbenzene
CID 67727241

Frequently Asked Questions

What is the IUPAC name of ethene;ethylbenzene;3-ethyl-N,4-dimethylaniline;N-hex-1-en-2-yl-N',3-dimethylbut-2-enimidamide;prop-1-ene?
The IUPAC name of ethene;ethylbenzene;3-ethyl-N,4-dimethylaniline;N-hex-1-en-2-yl-N',3-dimethylbut-2-enimidamide;prop-1-ene (CID 143316347) is ethene;ethylbenzene;3-ethyl-N,4-dimethylaniline;N-hex-1-en-2-yl-N',3-dimethylbut-2-enimidamide;prop-1-ene.
What is the SMILES notation for ethene;ethylbenzene;3-ethyl-N,4-dimethylaniline;N-hex-1-en-2-yl-N',3-dimethylbut-2-enimidamide;prop-1-ene?
The canonical SMILES for ethene;ethylbenzene;3-ethyl-N,4-dimethylaniline;N-hex-1-en-2-yl-N',3-dimethylbut-2-enimidamide;prop-1-ene is C=C.C=C(CCCC)N/C(C=C(C)C)=N/C.C=CC.CCc1cc(NC)ccc1C.CCc1ccccc1.
What is the InChIKey of ethene;ethylbenzene;3-ethyl-N,4-dimethylaniline;N-hex-1-en-2-yl-N',3-dimethylbut-2-enimidamide;prop-1-ene?
The InChIKey is IMONDDCEUPZLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2.C10H15N.C8H10.C3H6.C2H4/c1-6-7-8-11(4)14-12(13-5)9-10(2)3;1-4-9-7-10(11-3)6-5-8(9)2;1-2-8-6-4-3-5-7-8;1-3-2;1-2/h9H,4,6-8H2,1-3,5H3,(H,13,14);5-7,11H,4H2,1-3H3;3-7H,2H2,1H3;3H,1H2,2H3;1-2H2.
What are the key properties of ethene;ethylbenzene;3-ethyl-N,4-dimethylaniline;N-hex-1-en-2-yl-N',3-dimethylbut-2-enimidamide;prop-1-ene?
ethene;ethylbenzene;3-ethyl-N,4-dimethylaniline;N-hex-1-en-2-yl-N',3-dimethylbut-2-enimidamide;prop-1-ene has a molecular weight of 519.86 g/mol, XLogP of 10.12, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;ethylbenzene;3-ethyl-N,4-dimethylaniline;N-hex-1-en-2-yl-N',3-dimethylbut-2-enimidamide;prop-1-ene is sourced from PubChem (CID 143316347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).