ethane;2-methyl-2-methylsulfanyl-N-propan-2-ylpropan-1-imine

C10H23NS — CID 153390256

IUPACethane;2-methyl-2-methylsulfanyl-N-propan-2-ylpropan-1-imine
SMILESCC.CSC(C)(C)/C=N/C(C)C
InChIInChI=1S/C8H17NS.C2H6/c1-7(2)9-6-8(3,4)10-5;1-2/h6-7H,1-5H3;1-2H3/b9-6+;
InChIKeyCJHNZJMYCUFYBV-MLBSPLJJSA-N
MW189.37 g/mol
LogP3.63
Rot. Bonds3

About ethane;2-methyl-2-methylsulfanyl-N-propan-2-ylpropan-1-imine

ethane;2-methyl-2-methylsulfanyl-N-propan-2-ylpropan-1-imine (PubChem CID 153390256) has the molecular formula C10H23NS and a molecular weight of 189.37 g/mol. Its IUPAC name is ethane;2-methyl-2-methylsulfanyl-N-propan-2-ylpropan-1-imine.

Molecular Properties

Compound Nameethane;2-methyl-2-methylsulfanyl-N-propan-2-ylpropan-1-imine
PubChem CID153390256
Molecular FormulaC10H23NS
Molecular Weight189.37 g/mol
Exact Mass189.16
IUPAC Nameethane;2-methyl-2-methylsulfanyl-N-propan-2-ylpropan-1-imine
SMILESCC.CSC(C)(C)/C=N/C(C)C
InChIInChI=1S/C8H17NS.C2H6/c1-7(2)9-6-8(3,4)10-5;1-2/h6-7H,1-5H3;1-2H3/b9-6+;
InChIKeyCJHNZJMYCUFYBV-MLBSPLJJSA-N
XLogP3.63
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.37
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-2-methylsulfanyl-N-propan-2-ylpropan-1-imine?
The IUPAC name of ethane;2-methyl-2-methylsulfanyl-N-propan-2-ylpropan-1-imine (CID 153390256) is ethane;2-methyl-2-methylsulfanyl-N-propan-2-ylpropan-1-imine.
What is the SMILES notation for ethane;2-methyl-2-methylsulfanyl-N-propan-2-ylpropan-1-imine?
The canonical SMILES for ethane;2-methyl-2-methylsulfanyl-N-propan-2-ylpropan-1-imine is CC.CSC(C)(C)/C=N/C(C)C.
What is the InChIKey of ethane;2-methyl-2-methylsulfanyl-N-propan-2-ylpropan-1-imine?
The InChIKey is CJHNZJMYCUFYBV-MLBSPLJJSA-N. The full InChI is InChI=1S/C8H17NS.C2H6/c1-7(2)9-6-8(3,4)10-5;1-2/h6-7H,1-5H3;1-2H3/b9-6+;.
What are the key properties of ethane;2-methyl-2-methylsulfanyl-N-propan-2-ylpropan-1-imine?
ethane;2-methyl-2-methylsulfanyl-N-propan-2-ylpropan-1-imine has a molecular weight of 189.37 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-2-methylsulfanyl-N-propan-2-ylpropan-1-imine is sourced from PubChem (CID 153390256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).