N-(4-methylsulfanylbutyl)decan-1-amine

C15H33NS — CID 113487512

IUPACN-(4-methylsulfanylbutyl)decan-1-amine
SMILESCCCCCCCCCCNCCCCSC
InChIInChI=1S/C15H33NS/c1-3-4-5-6-7-8-9-10-13-16-14-11-12-15-17-2/h16H,3-15H2,1-2H3
InChIKeyFIOFXRFIEWIJAL-UHFFFAOYSA-N
MW259.50 g/mol
LogP4.86
Rot. Bonds14

About N-(4-methylsulfanylbutyl)decan-1-amine

N-(4-methylsulfanylbutyl)decan-1-amine (PubChem CID 113487512) has the molecular formula C15H33NS and a molecular weight of 259.50 g/mol. Its IUPAC name is N-(4-methylsulfanylbutyl)decan-1-amine.

Molecular Properties

Compound NameN-(4-methylsulfanylbutyl)decan-1-amine
PubChem CID113487512
Molecular FormulaC15H33NS
Molecular Weight259.50 g/mol
Exact Mass259.23
IUPAC NameN-(4-methylsulfanylbutyl)decan-1-amine
SMILESCCCCCCCCCCNCCCCSC
InChIInChI=1S/C15H33NS/c1-3-4-5-6-7-8-9-10-13-16-14-11-12-15-17-2/h16H,3-15H2,1-2H3
InChIKeyFIOFXRFIEWIJAL-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
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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Related Compounds

N-(2-methylsulfanylethyl)decan-1-amine
CID 60669485
methane;1-methylsulfanyloctadecane
CID 167697996
N-hexyltridecan-1-amine
CID 87659278
octane;N-octylnonan-1-amine
CID 145152206
N-undecyltetradecan-1-amine
CID 166059375
N,N'-diheptyldecane-1,10-diamine
CID 3028161
N,N'-diheptylhexane-1,6-diamine
CID 3028571
N-docosyldocosan-1-amine;hydrochloride
CID 173181498
N,N'-di(nonyl)ethane-1,2-diamine
CID 151189669
N-butyltetradecan-1-amine
CID 3548872
methane;N-octyloctan-1-amine
CID 87294693
N-hexylhexan-1-amine;hydrochloride
CID 519999

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfanylbutyl)decan-1-amine?
The IUPAC name of N-(4-methylsulfanylbutyl)decan-1-amine (CID 113487512) is N-(4-methylsulfanylbutyl)decan-1-amine.
What is the SMILES notation for N-(4-methylsulfanylbutyl)decan-1-amine?
The canonical SMILES for N-(4-methylsulfanylbutyl)decan-1-amine is CCCCCCCCCCNCCCCSC.
What is the InChIKey of N-(4-methylsulfanylbutyl)decan-1-amine?
The InChIKey is FIOFXRFIEWIJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NS/c1-3-4-5-6-7-8-9-10-13-16-14-11-12-15-17-2/h16H,3-15H2,1-2H3.
What are the key properties of N-(4-methylsulfanylbutyl)decan-1-amine?
N-(4-methylsulfanylbutyl)decan-1-amine has a molecular weight of 259.50 g/mol, XLogP of 4.86, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfanylbutyl)decan-1-amine is sourced from PubChem (CID 113487512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).