3-[(2Z,4Z)-3,6-dimethyl-1-(methylamino)hepta-2,4,6-trienyl]-N,N,4,5-tetramethyl-2,3-dihydrothiophen-2-amine

C18H30N2S — CID 146184714

IUPAC3-[(2Z,4Z)-3,6-dimethyl-1-(methylamino)hepta-2,4,6-trienyl]-N,N,4,5-tetramethyl-2,3-dihydrothiophen-2-amine
SMILESC=C(C)/C=C\C(C)=C/C(NC)C1C(C)=C(C)SC1N(C)C
InChIInChI=1S/C18H30N2S/c1-12(2)9-10-13(3)11-16(19-6)17-14(4)15(5)21-18(17)20(7)8/h9-11,16-19H,1H2,2-8H3/b10-9-,13-11-
InChIKeyQOCSJVUWWBVYJC-ZRQQEUPBSA-N
MW306.52 g/mol
LogP4.20
Rot. Bonds6

About 3-[(2Z,4Z)-3,6-dimethyl-1-(methylamino)hepta-2,4,6-trienyl]-N,N,4,5-tetramethyl-2,3-dihydrothiophen-2-amine

3-[(2Z,4Z)-3,6-dimethyl-1-(methylamino)hepta-2,4,6-trienyl]-N,N,4,5-tetramethyl-2,3-dihydrothiophen-2-amine (PubChem CID 146184714) has the molecular formula C18H30N2S and a molecular weight of 306.52 g/mol. Its IUPAC name is 3-[(2Z,4Z)-3,6-dimethyl-1-(methylamino)hepta-2,4,6-trienyl]-N,N,4,5-tetramethyl-2,3-dihydrothiophen-2-amine.

Molecular Properties

Compound Name3-[(2Z,4Z)-3,6-dimethyl-1-(methylamino)hepta-2,4,6-trienyl]-N,N,4,5-tetramethyl-2,3-dihydrothiophen-2-amine
PubChem CID146184714
Molecular FormulaC18H30N2S
Molecular Weight306.52 g/mol
Exact Mass306.21
IUPAC Name3-[(2Z,4Z)-3,6-dimethyl-1-(methylamino)hepta-2,4,6-trienyl]-N,N,4,5-tetramethyl-2,3-dihydrothiophen-2-amine
SMILESC=C(C)/C=C\C(C)=C/C(NC)C1C(C)=C(C)SC1N(C)C
InChIInChI=1S/C18H30N2S/c1-12(2)9-10-13(3)11-16(19-6)17-14(4)15(5)21-18(17)20(7)8/h9-11,16-19H,1H2,2-8H3/b10-9-,13-11-
InChIKeyQOCSJVUWWBVYJC-ZRQQEUPBSA-N
XLogP4.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.52
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(2Z,4Z)-3,6-dimethyl-1-(methylamino)hepta-2,4,6-trienyl]-N,N,4,5-tetramethyl-2,3-dihydrothiophen-2-amine?
The IUPAC name of 3-[(2Z,4Z)-3,6-dimethyl-1-(methylamino)hepta-2,4,6-trienyl]-N,N,4,5-tetramethyl-2,3-dihydrothiophen-2-amine (CID 146184714) is 3-[(2Z,4Z)-3,6-dimethyl-1-(methylamino)hepta-2,4,6-trienyl]-N,N,4,5-tetramethyl-2,3-dihydrothiophen-2-amine.
What is the SMILES notation for 3-[(2Z,4Z)-3,6-dimethyl-1-(methylamino)hepta-2,4,6-trienyl]-N,N,4,5-tetramethyl-2,3-dihydrothiophen-2-amine?
The canonical SMILES for 3-[(2Z,4Z)-3,6-dimethyl-1-(methylamino)hepta-2,4,6-trienyl]-N,N,4,5-tetramethyl-2,3-dihydrothiophen-2-amine is C=C(C)/C=C\C(C)=C/C(NC)C1C(C)=C(C)SC1N(C)C.
What is the InChIKey of 3-[(2Z,4Z)-3,6-dimethyl-1-(methylamino)hepta-2,4,6-trienyl]-N,N,4,5-tetramethyl-2,3-dihydrothiophen-2-amine?
The InChIKey is QOCSJVUWWBVYJC-ZRQQEUPBSA-N. The full InChI is InChI=1S/C18H30N2S/c1-12(2)9-10-13(3)11-16(19-6)17-14(4)15(5)21-18(17)20(7)8/h9-11,16-19H,1H2,2-8H3/b10-9-,13-11-.
What are the key properties of 3-[(2Z,4Z)-3,6-dimethyl-1-(methylamino)hepta-2,4,6-trienyl]-N,N,4,5-tetramethyl-2,3-dihydrothiophen-2-amine?
3-[(2Z,4Z)-3,6-dimethyl-1-(methylamino)hepta-2,4,6-trienyl]-N,N,4,5-tetramethyl-2,3-dihydrothiophen-2-amine has a molecular weight of 306.52 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2Z,4Z)-3,6-dimethyl-1-(methylamino)hepta-2,4,6-trienyl]-N,N,4,5-tetramethyl-2,3-dihydrothiophen-2-amine is sourced from PubChem (CID 146184714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).