5-methyl-N-(1-methylsulfanylpropan-2-yl)decan-5-amine

C15H33NS — CID 166770538

IUPAC5-methyl-N-(1-methylsulfanylpropan-2-yl)decan-5-amine
SMILESCCCCCC(C)(CCCC)NC(C)CSC
InChIInChI=1S/C15H33NS/c1-6-8-10-12-15(4,11-9-7-2)16-14(3)13-17-5/h14,16H,6-13H2,1-5H3
InChIKeySUJZOAUCJJTOTB-UHFFFAOYSA-N
MW259.50 g/mol
LogP4.86
Rot. Bonds11

About 5-methyl-N-(1-methylsulfanylpropan-2-yl)decan-5-amine

5-methyl-N-(1-methylsulfanylpropan-2-yl)decan-5-amine (PubChem CID 166770538) has the molecular formula C15H33NS and a molecular weight of 259.50 g/mol. Its IUPAC name is 5-methyl-N-(1-methylsulfanylpropan-2-yl)decan-5-amine.

Molecular Properties

Compound Name5-methyl-N-(1-methylsulfanylpropan-2-yl)decan-5-amine
PubChem CID166770538
Molecular FormulaC15H33NS
Molecular Weight259.50 g/mol
Exact Mass259.23
IUPAC Name5-methyl-N-(1-methylsulfanylpropan-2-yl)decan-5-amine
SMILESCCCCCC(C)(CCCC)NC(C)CSC
InChIInChI=1S/C15H33NS/c1-6-8-10-12-15(4,11-9-7-2)16-14(3)13-17-5/h14,16H,6-13H2,1-5H3
InChIKeySUJZOAUCJJTOTB-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.50
LogP ≤ 54.86
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 5-methyl-N-(1-methylsulfanylpropan-2-yl)decan-5-amine?
The IUPAC name of 5-methyl-N-(1-methylsulfanylpropan-2-yl)decan-5-amine (CID 166770538) is 5-methyl-N-(1-methylsulfanylpropan-2-yl)decan-5-amine.
What is the SMILES notation for 5-methyl-N-(1-methylsulfanylpropan-2-yl)decan-5-amine?
The canonical SMILES for 5-methyl-N-(1-methylsulfanylpropan-2-yl)decan-5-amine is CCCCCC(C)(CCCC)NC(C)CSC.
What is the InChIKey of 5-methyl-N-(1-methylsulfanylpropan-2-yl)decan-5-amine?
The InChIKey is SUJZOAUCJJTOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NS/c1-6-8-10-12-15(4,11-9-7-2)16-14(3)13-17-5/h14,16H,6-13H2,1-5H3.
What are the key properties of 5-methyl-N-(1-methylsulfanylpropan-2-yl)decan-5-amine?
5-methyl-N-(1-methylsulfanylpropan-2-yl)decan-5-amine has a molecular weight of 259.50 g/mol, XLogP of 4.86, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(1-methylsulfanylpropan-2-yl)decan-5-amine is sourced from PubChem (CID 166770538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).