(Z)-6-ethylsulfanyl-2,3-dimethyl-4-methylidene-N-propyloct-6-en-2-amine

C16H31NS — CID 166767361

IUPAC(Z)-6-ethylsulfanyl-2,3-dimethyl-4-methylidene-N-propyloct-6-en-2-amine
SMILESC=C(C/C(=C/C)SCC)C(C)C(C)(C)NCCC
InChIInChI=1S/C16H31NS/c1-8-11-17-16(6,7)14(5)13(4)12-15(9-2)18-10-3/h9,14,17H,4,8,10-12H2,1-3,5-7H3/b15-9-
InChIKeyXIWHTBDEUOAIBZ-DHDCSXOGSA-N
MW269.50 g/mol
LogP5.00
Rot. Bonds9

About (Z)-6-ethylsulfanyl-2,3-dimethyl-4-methylidene-N-propyloct-6-en-2-amine

(Z)-6-ethylsulfanyl-2,3-dimethyl-4-methylidene-N-propyloct-6-en-2-amine (PubChem CID 166767361) has the molecular formula C16H31NS and a molecular weight of 269.50 g/mol. Its IUPAC name is (Z)-6-ethylsulfanyl-2,3-dimethyl-4-methylidene-N-propyloct-6-en-2-amine.

Molecular Properties

Compound Name(Z)-6-ethylsulfanyl-2,3-dimethyl-4-methylidene-N-propyloct-6-en-2-amine
PubChem CID166767361
Molecular FormulaC16H31NS
Molecular Weight269.50 g/mol
Exact Mass269.22
IUPAC Name(Z)-6-ethylsulfanyl-2,3-dimethyl-4-methylidene-N-propyloct-6-en-2-amine
SMILESC=C(C/C(=C/C)SCC)C(C)C(C)(C)NCCC
InChIInChI=1S/C16H31NS/c1-8-11-17-16(6,7)14(5)13(4)12-15(9-2)18-10-3/h9,14,17H,4,8,10-12H2,1-3,5-7H3/b15-9-
InChIKeyXIWHTBDEUOAIBZ-DHDCSXOGSA-N
XLogP5.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.50
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-6-ethylsulfanyl-2,3-dimethyl-4-methylidene-N-propyloct-6-en-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-6-ethylsulfanyl-2,3-dimethyl-4-methylidene-N-propyloct-6-en-2-amine?
The IUPAC name of (Z)-6-ethylsulfanyl-2,3-dimethyl-4-methylidene-N-propyloct-6-en-2-amine (CID 166767361) is (Z)-6-ethylsulfanyl-2,3-dimethyl-4-methylidene-N-propyloct-6-en-2-amine.
What is the SMILES notation for (Z)-6-ethylsulfanyl-2,3-dimethyl-4-methylidene-N-propyloct-6-en-2-amine?
The canonical SMILES for (Z)-6-ethylsulfanyl-2,3-dimethyl-4-methylidene-N-propyloct-6-en-2-amine is C=C(C/C(=C/C)SCC)C(C)C(C)(C)NCCC.
What is the InChIKey of (Z)-6-ethylsulfanyl-2,3-dimethyl-4-methylidene-N-propyloct-6-en-2-amine?
The InChIKey is XIWHTBDEUOAIBZ-DHDCSXOGSA-N. The full InChI is InChI=1S/C16H31NS/c1-8-11-17-16(6,7)14(5)13(4)12-15(9-2)18-10-3/h9,14,17H,4,8,10-12H2,1-3,5-7H3/b15-9-.
What are the key properties of (Z)-6-ethylsulfanyl-2,3-dimethyl-4-methylidene-N-propyloct-6-en-2-amine?
(Z)-6-ethylsulfanyl-2,3-dimethyl-4-methylidene-N-propyloct-6-en-2-amine has a molecular weight of 269.50 g/mol, XLogP of 5.00, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-ethylsulfanyl-2,3-dimethyl-4-methylidene-N-propyloct-6-en-2-amine is sourced from PubChem (CID 166767361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).