2-(3,7-dimethylocta-1,6-dien-3-ylsulfanyl)-N,N-dimethylethanamine

C14H27NS — CID 110180529

IUPAC2-(3,7-dimethylocta-1,6-dien-3-ylsulfanyl)-N,N-dimethylethanamine
SMILESC=CC(C)(CCC=C(C)C)SCCN(C)C
InChIInChI=1S/C14H27NS/c1-7-14(4,10-8-9-13(2)3)16-12-11-15(5)6/h7,9H,1,8,10-12H2,2-6H3
InChIKeyYZTLWAIRULFAEZ-UHFFFAOYSA-N
MW241.44 g/mol
LogP3.97
Rot. Bonds8

About 2-(3,7-dimethylocta-1,6-dien-3-ylsulfanyl)-N,N-dimethylethanamine

2-(3,7-dimethylocta-1,6-dien-3-ylsulfanyl)-N,N-dimethylethanamine (PubChem CID 110180529) has the molecular formula C14H27NS and a molecular weight of 241.44 g/mol. Its IUPAC name is 2-(3,7-dimethylocta-1,6-dien-3-ylsulfanyl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(3,7-dimethylocta-1,6-dien-3-ylsulfanyl)-N,N-dimethylethanamine
PubChem CID110180529
Molecular FormulaC14H27NS
Molecular Weight241.44 g/mol
Exact Mass241.19
IUPAC Name2-(3,7-dimethylocta-1,6-dien-3-ylsulfanyl)-N,N-dimethylethanamine
SMILESC=CC(C)(CCC=C(C)C)SCCN(C)C
InChIInChI=1S/C14H27NS/c1-7-14(4,10-8-9-13(2)3)16-12-11-15(5)6/h7,9H,1,8,10-12H2,2-6H3
InChIKeyYZTLWAIRULFAEZ-UHFFFAOYSA-N
XLogP3.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.44
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(3,7-dimethylocta-1,6-dien-3-ylsulfanyl)-N,N-dimethylethanamine with MolForge

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Launch Full Analysis

Related Compounds

2-[(3S,6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl]sulfanylethanol
CID 166441704
3,7-dimethylocta-1,6-dien-3-ylsulfanyl(methylsulfanyl)methanone
CID 15754573
3-ethenyl-3,7-dimethylocta-1,6-diene
CID 13122887
3-carboxy-3,5-dihydroxy-5-oxopentanoate;2-(3,7-dimethylocta-1,6-dien-3-ylsulfanyl)ethyl-dimethylazanium
CID 110180528
carbonic acid;3,7-dimethylocta-1,6-dien-3-ol;hydrate
CID 174785668
4-ethenyl-4,8-dimethylnon-7-en-2-ol
CID 10397794
3,7-dimethylocta-1,6-dien-3-ol;hexane
CID 135305503
4-ethenyl-3-ethyl-4,8-dimethylnon-7-en-3-ol
CID 10966171
1-[(3-hydroxy-3,7-dimethylocta-1,6-dienyl)disulfanyl]-3,7-dimethylocta-1,6-dien-3-ol
CID 139888264
acetic acid;3-(3,7-dimethylocta-1,6-dien-3-yloxy)-3,7-dimethylocta-1,6-diene
CID 174957070
2,6-dimethyl-2-propylsulfanylhept-5-en-1-ol
CID 123332822
3-methylpent-1-en-3-ol;4-methylpent-3-en-1-ol
CID 160907821

Frequently Asked Questions

What is the IUPAC name of 2-(3,7-dimethylocta-1,6-dien-3-ylsulfanyl)-N,N-dimethylethanamine?
The IUPAC name of 2-(3,7-dimethylocta-1,6-dien-3-ylsulfanyl)-N,N-dimethylethanamine (CID 110180529) is 2-(3,7-dimethylocta-1,6-dien-3-ylsulfanyl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(3,7-dimethylocta-1,6-dien-3-ylsulfanyl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(3,7-dimethylocta-1,6-dien-3-ylsulfanyl)-N,N-dimethylethanamine is C=CC(C)(CCC=C(C)C)SCCN(C)C.
What is the InChIKey of 2-(3,7-dimethylocta-1,6-dien-3-ylsulfanyl)-N,N-dimethylethanamine?
The InChIKey is YZTLWAIRULFAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NS/c1-7-14(4,10-8-9-13(2)3)16-12-11-15(5)6/h7,9H,1,8,10-12H2,2-6H3.
What are the key properties of 2-(3,7-dimethylocta-1,6-dien-3-ylsulfanyl)-N,N-dimethylethanamine?
2-(3,7-dimethylocta-1,6-dien-3-ylsulfanyl)-N,N-dimethylethanamine has a molecular weight of 241.44 g/mol, XLogP of 3.97, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,7-dimethylocta-1,6-dien-3-ylsulfanyl)-N,N-dimethylethanamine is sourced from PubChem (CID 110180529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).