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

C12H31NS — CID 144712183

IUPACethane;N-ethyl-N-(2-methylsulfanylethyl)propan-1-amine
SMILESCC.CC.CCCN(CC)CCSC
InChIInChI=1S/C8H19NS.2C2H6/c1-4-6-9(5-2)7-8-10-3;2*1-2/h4-8H2,1-3H3;2*1-2H3
InChIKeyQKPVJDVXBRBZEG-UHFFFAOYSA-N
MW221.45 g/mol
LogP4.13
Rot. Bonds6

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

ethane;N-ethyl-N-(2-methylsulfanylethyl)propan-1-amine (PubChem CID 144712183) has the molecular formula C12H31NS and a molecular weight of 221.45 g/mol. Its IUPAC name is ethane;N-ethyl-N-(2-methylsulfanylethyl)propan-1-amine.

Molecular Properties

Compound Nameethane;N-ethyl-N-(2-methylsulfanylethyl)propan-1-amine
PubChem CID144712183
Molecular FormulaC12H31NS
Molecular Weight221.45 g/mol
Exact Mass221.22
IUPAC Nameethane;N-ethyl-N-(2-methylsulfanylethyl)propan-1-amine
SMILESCC.CC.CCCN(CC)CCSC
InChIInChI=1S/C8H19NS.2C2H6/c1-4-6-9(5-2)7-8-10-3;2*1-2/h4-8H2,1-3H3;2*1-2H3
InChIKeyQKPVJDVXBRBZEG-UHFFFAOYSA-N
XLogP4.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.45
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-N-(2-methylsulfanylethyl)propan-1-amine?
The IUPAC name of ethane;N-ethyl-N-(2-methylsulfanylethyl)propan-1-amine (CID 144712183) is ethane;N-ethyl-N-(2-methylsulfanylethyl)propan-1-amine.
What is the SMILES notation for ethane;N-ethyl-N-(2-methylsulfanylethyl)propan-1-amine?
The canonical SMILES for ethane;N-ethyl-N-(2-methylsulfanylethyl)propan-1-amine is CC.CC.CCCN(CC)CCSC.
What is the InChIKey of ethane;N-ethyl-N-(2-methylsulfanylethyl)propan-1-amine?
The InChIKey is QKPVJDVXBRBZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NS.2C2H6/c1-4-6-9(5-2)7-8-10-3;2*1-2/h4-8H2,1-3H3;2*1-2H3.
What are the key properties of ethane;N-ethyl-N-(2-methylsulfanylethyl)propan-1-amine?
ethane;N-ethyl-N-(2-methylsulfanylethyl)propan-1-amine has a molecular weight of 221.45 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-N-(2-methylsulfanylethyl)propan-1-amine is sourced from PubChem (CID 144712183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).