ethane;N-(2-methylsulfanylethyl)propan-1-amine

C8H21NS — CID 144962889

IUPACethane;N-(2-methylsulfanylethyl)propan-1-amine
SMILESCC.CCCNCCSC
InChIInChI=1S/C6H15NS.C2H6/c1-3-4-7-5-6-8-2;1-2/h7H,3-6H2,1-2H3;1-2H3
InChIKeyXAQYMWNEZNBDGD-UHFFFAOYSA-N
MW163.33 g/mol
LogP2.38
Rot. Bonds5

About ethane;N-(2-methylsulfanylethyl)propan-1-amine

ethane;N-(2-methylsulfanylethyl)propan-1-amine (PubChem CID 144962889) has the molecular formula C8H21NS and a molecular weight of 163.33 g/mol. Its IUPAC name is ethane;N-(2-methylsulfanylethyl)propan-1-amine.

Molecular Properties

Compound Nameethane;N-(2-methylsulfanylethyl)propan-1-amine
PubChem CID144962889
Molecular FormulaC8H21NS
Molecular Weight163.33 g/mol
Exact Mass163.14
IUPAC Nameethane;N-(2-methylsulfanylethyl)propan-1-amine
SMILESCC.CCCNCCSC
InChIInChI=1S/C6H15NS.C2H6/c1-3-4-7-5-6-8-2;1-2/h7H,3-6H2,1-2H3;1-2H3
InChIKeyXAQYMWNEZNBDGD-UHFFFAOYSA-N
XLogP2.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.33
LogP ≤ 52.38
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
1-(2-methylsulfanylethyl)-2-propylhydrazine
CID 130291199
2-methylsulfanyl-N-(2-propylsulfonylethyl)ethanamine
CID 106723762
N-(methylsulfanylmethyl)propan-1-amine;hydrochloride
CID 71359883
2-dibutylphosphoryl-N-(2-methylsulfanylethyl)ethanamine
CID 118584887
azane;N-propylpropan-1-amine;trihydrochloride
CID 173212322
4-(2-methylsulfanylethylamino)butan-1-ol
CID 63964871
N-(4-methylsulfanylbutyl)decan-1-amine
CID 113487512
N-(2-butan-2-ylsulfanylethyl)propan-1-amine
CID 61385679
ethane;propane;propan-1-ol;N-propylpropan-1-amine
CID 143703279
N-propyl-N',N'-bis[2-(propylamino)ethyl]ethane-1,2-diamine
CID 122700758
4,4,4-trifluoro-N-(2-methylsulfanylethyl)butan-1-amine
CID 115513722

Frequently Asked Questions

What is the IUPAC name of ethane;N-(2-methylsulfanylethyl)propan-1-amine?
The IUPAC name of ethane;N-(2-methylsulfanylethyl)propan-1-amine (CID 144962889) is ethane;N-(2-methylsulfanylethyl)propan-1-amine.
What is the SMILES notation for ethane;N-(2-methylsulfanylethyl)propan-1-amine?
The canonical SMILES for ethane;N-(2-methylsulfanylethyl)propan-1-amine is CC.CCCNCCSC.
What is the InChIKey of ethane;N-(2-methylsulfanylethyl)propan-1-amine?
The InChIKey is XAQYMWNEZNBDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NS.C2H6/c1-3-4-7-5-6-8-2;1-2/h7H,3-6H2,1-2H3;1-2H3.
What are the key properties of ethane;N-(2-methylsulfanylethyl)propan-1-amine?
ethane;N-(2-methylsulfanylethyl)propan-1-amine has a molecular weight of 163.33 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(2-methylsulfanylethyl)propan-1-amine is sourced from PubChem (CID 144962889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).