7-methyl-N-(2-methylsulfanylethyl)tridecan-7-amine

C17H37NS — CID 130426418

IUPAC7-methyl-N-(2-methylsulfanylethyl)tridecan-7-amine
SMILESCCCCCCC(C)(CCCCCC)NCCSC
InChIInChI=1S/C17H37NS/c1-5-7-9-11-13-17(3,18-15-16-19-4)14-12-10-8-6-2/h18H,5-16H2,1-4H3
InChIKeyZVXOJEGQMJNSGH-UHFFFAOYSA-N
MW287.56 g/mol
LogP5.64
Rot. Bonds14

About 7-methyl-N-(2-methylsulfanylethyl)tridecan-7-amine

7-methyl-N-(2-methylsulfanylethyl)tridecan-7-amine (PubChem CID 130426418) has the molecular formula C17H37NS and a molecular weight of 287.56 g/mol. Its IUPAC name is 7-methyl-N-(2-methylsulfanylethyl)tridecan-7-amine.

Molecular Properties

Compound Name7-methyl-N-(2-methylsulfanylethyl)tridecan-7-amine
PubChem CID130426418
Molecular FormulaC17H37NS
Molecular Weight287.56 g/mol
Exact Mass287.26
IUPAC Name7-methyl-N-(2-methylsulfanylethyl)tridecan-7-amine
SMILESCCCCCCC(C)(CCCCCC)NCCSC
InChIInChI=1S/C17H37NS/c1-5-7-9-11-13-17(3,18-15-16-19-4)14-12-10-8-6-2/h18H,5-16H2,1-4H3
InChIKeyZVXOJEGQMJNSGH-UHFFFAOYSA-N
XLogP5.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.56
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-(2-methylsulfanylethyl)tridecan-7-amine?
The IUPAC name of 7-methyl-N-(2-methylsulfanylethyl)tridecan-7-amine (CID 130426418) is 7-methyl-N-(2-methylsulfanylethyl)tridecan-7-amine.
What is the SMILES notation for 7-methyl-N-(2-methylsulfanylethyl)tridecan-7-amine?
The canonical SMILES for 7-methyl-N-(2-methylsulfanylethyl)tridecan-7-amine is CCCCCCC(C)(CCCCCC)NCCSC.
What is the InChIKey of 7-methyl-N-(2-methylsulfanylethyl)tridecan-7-amine?
The InChIKey is ZVXOJEGQMJNSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37NS/c1-5-7-9-11-13-17(3,18-15-16-19-4)14-12-10-8-6-2/h18H,5-16H2,1-4H3.
What are the key properties of 7-methyl-N-(2-methylsulfanylethyl)tridecan-7-amine?
7-methyl-N-(2-methylsulfanylethyl)tridecan-7-amine has a molecular weight of 287.56 g/mol, XLogP of 5.64, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-(2-methylsulfanylethyl)tridecan-7-amine is sourced from PubChem (CID 130426418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).