3,5-dimethylnon-6-en-2-ylsulfanylmethanamine

C12H25NS — CID 123335153

IUPAC3,5-dimethylnon-6-en-2-ylsulfanylmethanamine
SMILESCCC=CC(C)CC(C)C(C)SCN
InChIInChI=1S/C12H25NS/c1-5-6-7-10(2)8-11(3)12(4)14-9-13/h6-7,10-12H,5,8-9,13H2,1-4H3
InChIKeyGUVVGTKGVDTICS-UHFFFAOYSA-N
MW215.41 g/mol
LogP3.65
Rot. Bonds7

About 3,5-dimethylnon-6-en-2-ylsulfanylmethanamine

3,5-dimethylnon-6-en-2-ylsulfanylmethanamine (PubChem CID 123335153) has the molecular formula C12H25NS and a molecular weight of 215.41 g/mol. Its IUPAC name is 3,5-dimethylnon-6-en-2-ylsulfanylmethanamine.

Molecular Properties

Compound Name3,5-dimethylnon-6-en-2-ylsulfanylmethanamine
PubChem CID123335153
Molecular FormulaC12H25NS
Molecular Weight215.41 g/mol
Exact Mass215.17
IUPAC Name3,5-dimethylnon-6-en-2-ylsulfanylmethanamine
SMILESCCC=CC(C)CC(C)C(C)SCN
InChIInChI=1S/C12H25NS/c1-5-6-7-10(2)8-11(3)12(4)14-9-13/h6-7,10-12H,5,8-9,13H2,1-4H3
InChIKeyGUVVGTKGVDTICS-UHFFFAOYSA-N
XLogP3.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.41
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethylnon-6-en-2-ylsulfanylmethanamine?
The IUPAC name of 3,5-dimethylnon-6-en-2-ylsulfanylmethanamine (CID 123335153) is 3,5-dimethylnon-6-en-2-ylsulfanylmethanamine.
What is the SMILES notation for 3,5-dimethylnon-6-en-2-ylsulfanylmethanamine?
The canonical SMILES for 3,5-dimethylnon-6-en-2-ylsulfanylmethanamine is CCC=CC(C)CC(C)C(C)SCN.
What is the InChIKey of 3,5-dimethylnon-6-en-2-ylsulfanylmethanamine?
The InChIKey is GUVVGTKGVDTICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NS/c1-5-6-7-10(2)8-11(3)12(4)14-9-13/h6-7,10-12H,5,8-9,13H2,1-4H3.
What are the key properties of 3,5-dimethylnon-6-en-2-ylsulfanylmethanamine?
3,5-dimethylnon-6-en-2-ylsulfanylmethanamine has a molecular weight of 215.41 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethylnon-6-en-2-ylsulfanylmethanamine is sourced from PubChem (CID 123335153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).