N-methyl-1-(2-methylpropylsulfanyl)propan-2-amine

C8H19NS — CID 64611112

IUPACN-methyl-1-(2-methylpropylsulfanyl)propan-2-amine
SMILESCNC(C)CSCC(C)C
InChIInChI=1S/C8H19NS/c1-7(2)5-10-6-8(3)9-4/h7-9H,5-6H2,1-4H3
InChIKeyFWUQMFSOJMJKEN-UHFFFAOYSA-N
MW161.31 g/mol
LogP1.98
Rot. Bonds5

About N-methyl-1-(2-methylpropylsulfanyl)propan-2-amine

N-methyl-1-(2-methylpropylsulfanyl)propan-2-amine (PubChem CID 64611112) has the molecular formula C8H19NS and a molecular weight of 161.31 g/mol. Its IUPAC name is N-methyl-1-(2-methylpropylsulfanyl)propan-2-amine.

Molecular Properties

Compound NameN-methyl-1-(2-methylpropylsulfanyl)propan-2-amine
PubChem CID64611112
Molecular FormulaC8H19NS
Molecular Weight161.31 g/mol
Exact Mass161.12
IUPAC NameN-methyl-1-(2-methylpropylsulfanyl)propan-2-amine
SMILESCNC(C)CSCC(C)C
InChIInChI=1S/C8H19NS/c1-7(2)5-10-6-8(3)9-4/h7-9H,5-6H2,1-4H3
InChIKeyFWUQMFSOJMJKEN-UHFFFAOYSA-N
XLogP1.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.31
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylpropylsulfanyl)propan-2-amine?
The IUPAC name of N-methyl-1-(2-methylpropylsulfanyl)propan-2-amine (CID 64611112) is N-methyl-1-(2-methylpropylsulfanyl)propan-2-amine.
What is the SMILES notation for N-methyl-1-(2-methylpropylsulfanyl)propan-2-amine?
The canonical SMILES for N-methyl-1-(2-methylpropylsulfanyl)propan-2-amine is CNC(C)CSCC(C)C.
What is the InChIKey of N-methyl-1-(2-methylpropylsulfanyl)propan-2-amine?
The InChIKey is FWUQMFSOJMJKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NS/c1-7(2)5-10-6-8(3)9-4/h7-9H,5-6H2,1-4H3.
What are the key properties of N-methyl-1-(2-methylpropylsulfanyl)propan-2-amine?
N-methyl-1-(2-methylpropylsulfanyl)propan-2-amine has a molecular weight of 161.31 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylpropylsulfanyl)propan-2-amine is sourced from PubChem (CID 64611112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).