N-(2-methyl-3-methylsulfanylpropyl)decan-1-amine

C15H33NS — CID 63964733

IUPACN-(2-methyl-3-methylsulfanylpropyl)decan-1-amine
SMILESCCCCCCCCCCNCC(C)CSC
InChIInChI=1S/C15H33NS/c1-4-5-6-7-8-9-10-11-12-16-13-15(2)14-17-3/h15-16H,4-14H2,1-3H3
InChIKeyQJXCMBDXKOSNCN-UHFFFAOYSA-N
MW259.50 g/mol
LogP4.72
Rot. Bonds13

About N-(2-methyl-3-methylsulfanylpropyl)decan-1-amine

N-(2-methyl-3-methylsulfanylpropyl)decan-1-amine (PubChem CID 63964733) has the molecular formula C15H33NS and a molecular weight of 259.50 g/mol. Its IUPAC name is N-(2-methyl-3-methylsulfanylpropyl)decan-1-amine.

Molecular Properties

Compound NameN-(2-methyl-3-methylsulfanylpropyl)decan-1-amine
PubChem CID63964733
Molecular FormulaC15H33NS
Molecular Weight259.50 g/mol
Exact Mass259.23
IUPAC NameN-(2-methyl-3-methylsulfanylpropyl)decan-1-amine
SMILESCCCCCCCCCCNCC(C)CSC
InChIInChI=1S/C15H33NS/c1-4-5-6-7-8-9-10-11-12-16-13-15(2)14-17-3/h15-16H,4-14H2,1-3H3
InChIKeyQJXCMBDXKOSNCN-UHFFFAOYSA-N
XLogP4.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.50
LogP ≤ 54.72
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-methyl-3-methylsulfanylpropyl)nonan-1-amine
CID 63964508
2-methyl-3-methylsulfanyl-N-propylpropan-1-amine
CID 63981278
5-[(2-methyl-3-methylsulfanylpropyl)amino]pentan-1-ol
CID 63967364
6-[(2-methyl-3-methylsulfanylpropyl)amino]hexan-1-ol
CID 107703420
3-(heptylamino)-2-methylpropan-1-ol
CID 65031965
N-(3-ethoxypropyl)-2-methyl-3-methylsulfanylpropan-1-amine
CID 65175780
N,N'-dibutyl-2-methylpropane-1,3-diamine
CID 22075510
N-(2-methyl-3-methylsulfanylpropyl)nonan-2-amine
CID 63982163
(2S)-1-(hexadecylamino)propan-2-ol
CID 96570879
N-(3-methyl-2-propan-2-ylbutyl)nonan-1-amine
CID 102905484
N-decyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 113405465
N-(2,3-dimethylbutyl)octan-1-amine
CID 64568463

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-methylsulfanylpropyl)decan-1-amine?
The IUPAC name of N-(2-methyl-3-methylsulfanylpropyl)decan-1-amine (CID 63964733) is N-(2-methyl-3-methylsulfanylpropyl)decan-1-amine.
What is the SMILES notation for N-(2-methyl-3-methylsulfanylpropyl)decan-1-amine?
The canonical SMILES for N-(2-methyl-3-methylsulfanylpropyl)decan-1-amine is CCCCCCCCCCNCC(C)CSC.
What is the InChIKey of N-(2-methyl-3-methylsulfanylpropyl)decan-1-amine?
The InChIKey is QJXCMBDXKOSNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NS/c1-4-5-6-7-8-9-10-11-12-16-13-15(2)14-17-3/h15-16H,4-14H2,1-3H3.
What are the key properties of N-(2-methyl-3-methylsulfanylpropyl)decan-1-amine?
N-(2-methyl-3-methylsulfanylpropyl)decan-1-amine has a molecular weight of 259.50 g/mol, XLogP of 4.72, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-methylsulfanylpropyl)decan-1-amine is sourced from PubChem (CID 63964733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).