N,5-dimethyl-1-thiophen-2-ylhex-4-en-3-imine;ethenamine;ethylbenzene;2-ethyl-1,4-dimethylbenzene

C32H46N2S — CID 143316609

IUPACN,5-dimethyl-1-thiophen-2-ylhex-4-en-3-imine;ethenamine;ethylbenzene;2-ethyl-1,4-dimethylbenzene
SMILESC/N=C(\C=C(C)C)CCc1cccs1.C=CN.CCc1cc(C)ccc1C.CCc1ccccc1
InChIInChI=1S/C12H17NS.C10H14.C8H10.C2H5N/c1-10(2)9-11(13-3)6-7-12-5-4-8-14-12;1-4-10-7-8(2)5-6-9(10)3;1-2-8-6-4-3-5-7-8;1-2-3/h4-5,8-9H,6-7H2,1-3H3;5-7H,4H2,1-3H3;3-7H,2H2,1H3;2H,1,3H2/b13-11-;;;
InChIKeyAPOJZBOTHBAPJC-GTDSVJRGSA-N
MW490.80 g/mol
LogP8.92
Rot. Bonds6

About N,5-dimethyl-1-thiophen-2-ylhex-4-en-3-imine;ethenamine;ethylbenzene;2-ethyl-1,4-dimethylbenzene

N,5-dimethyl-1-thiophen-2-ylhex-4-en-3-imine;ethenamine;ethylbenzene;2-ethyl-1,4-dimethylbenzene (PubChem CID 143316609) has the molecular formula C32H46N2S and a molecular weight of 490.80 g/mol. Its IUPAC name is N,5-dimethyl-1-thiophen-2-ylhex-4-en-3-imine;ethenamine;ethylbenzene;2-ethyl-1,4-dimethylbenzene.

Molecular Properties

Compound NameN,5-dimethyl-1-thiophen-2-ylhex-4-en-3-imine;ethenamine;ethylbenzene;2-ethyl-1,4-dimethylbenzene
PubChem CID143316609
Molecular FormulaC32H46N2S
Molecular Weight490.80 g/mol
Exact Mass490.34
IUPAC NameN,5-dimethyl-1-thiophen-2-ylhex-4-en-3-imine;ethenamine;ethylbenzene;2-ethyl-1,4-dimethylbenzene
SMILESC/N=C(\C=C(C)C)CCc1cccs1.C=CN.CCc1cc(C)ccc1C.CCc1ccccc1
InChIInChI=1S/C12H17NS.C10H14.C8H10.C2H5N/c1-10(2)9-11(13-3)6-7-12-5-4-8-14-12;1-4-10-7-8(2)5-6-9(10)3;1-2-8-6-4-3-5-7-8;1-2-3/h4-5,8-9H,6-7H2,1-3H3;5-7H,4H2,1-3H3;3-7H,2H2,1H3;2H,1,3H2/b13-11-;;;
InChIKeyAPOJZBOTHBAPJC-GTDSVJRGSA-N
XLogP8.92
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.80
LogP ≤ 58.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-1-thiophen-2-ylhex-4-en-3-imine;ethenamine;ethylbenzene;2-ethyl-1,4-dimethylbenzene?
The IUPAC name of N,5-dimethyl-1-thiophen-2-ylhex-4-en-3-imine;ethenamine;ethylbenzene;2-ethyl-1,4-dimethylbenzene (CID 143316609) is N,5-dimethyl-1-thiophen-2-ylhex-4-en-3-imine;ethenamine;ethylbenzene;2-ethyl-1,4-dimethylbenzene.
What is the SMILES notation for N,5-dimethyl-1-thiophen-2-ylhex-4-en-3-imine;ethenamine;ethylbenzene;2-ethyl-1,4-dimethylbenzene?
The canonical SMILES for N,5-dimethyl-1-thiophen-2-ylhex-4-en-3-imine;ethenamine;ethylbenzene;2-ethyl-1,4-dimethylbenzene is C/N=C(\C=C(C)C)CCc1cccs1.C=CN.CCc1cc(C)ccc1C.CCc1ccccc1.
What is the InChIKey of N,5-dimethyl-1-thiophen-2-ylhex-4-en-3-imine;ethenamine;ethylbenzene;2-ethyl-1,4-dimethylbenzene?
The InChIKey is APOJZBOTHBAPJC-GTDSVJRGSA-N. The full InChI is InChI=1S/C12H17NS.C10H14.C8H10.C2H5N/c1-10(2)9-11(13-3)6-7-12-5-4-8-14-12;1-4-10-7-8(2)5-6-9(10)3;1-2-8-6-4-3-5-7-8;1-2-3/h4-5,8-9H,6-7H2,1-3H3;5-7H,4H2,1-3H3;3-7H,2H2,1H3;2H,1,3H2/b13-11-;;;.
What are the key properties of N,5-dimethyl-1-thiophen-2-ylhex-4-en-3-imine;ethenamine;ethylbenzene;2-ethyl-1,4-dimethylbenzene?
N,5-dimethyl-1-thiophen-2-ylhex-4-en-3-imine;ethenamine;ethylbenzene;2-ethyl-1,4-dimethylbenzene has a molecular weight of 490.80 g/mol, XLogP of 8.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-1-thiophen-2-ylhex-4-en-3-imine;ethenamine;ethylbenzene;2-ethyl-1,4-dimethylbenzene is sourced from PubChem (CID 143316609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).