3-methylbutan-1-amine;2-methyl-2-methylsulfanylpropane

C10H25NS — CID 178163372

IUPAC3-methylbutan-1-amine;2-methyl-2-methylsulfanylpropane
SMILESCC(C)CCN.CSC(C)(C)C
InChIInChI=1S/C5H13N.C5H12S/c1-5(2)3-4-6;1-5(2,3)6-4/h5H,3-4,6H2,1-2H3;1-4H3
InChIKeyRHVQRKUJRNVMKB-UHFFFAOYSA-N
MW191.38 g/mol
LogP3.14
Rot. Bonds2

About 3-methylbutan-1-amine;2-methyl-2-methylsulfanylpropane

3-methylbutan-1-amine;2-methyl-2-methylsulfanylpropane (PubChem CID 178163372) has the molecular formula C10H25NS and a molecular weight of 191.38 g/mol. Its IUPAC name is 3-methylbutan-1-amine;2-methyl-2-methylsulfanylpropane.

Molecular Properties

Compound Name3-methylbutan-1-amine;2-methyl-2-methylsulfanylpropane
PubChem CID178163372
Molecular FormulaC10H25NS
Molecular Weight191.38 g/mol
Exact Mass191.17
IUPAC Name3-methylbutan-1-amine;2-methyl-2-methylsulfanylpropane
SMILESCC(C)CCN.CSC(C)(C)C
InChIInChI=1S/C5H13N.C5H12S/c1-5(2)3-4-6;1-5(2,3)6-4/h5H,3-4,6H2,1-2H3;1-4H3
InChIKeyRHVQRKUJRNVMKB-UHFFFAOYSA-N
XLogP3.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.38
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methylbutan-1-amine;2-methyl-2-methylsulfanylpropane?
The IUPAC name of 3-methylbutan-1-amine;2-methyl-2-methylsulfanylpropane (CID 178163372) is 3-methylbutan-1-amine;2-methyl-2-methylsulfanylpropane.
What is the SMILES notation for 3-methylbutan-1-amine;2-methyl-2-methylsulfanylpropane?
The canonical SMILES for 3-methylbutan-1-amine;2-methyl-2-methylsulfanylpropane is CC(C)CCN.CSC(C)(C)C.
What is the InChIKey of 3-methylbutan-1-amine;2-methyl-2-methylsulfanylpropane?
The InChIKey is RHVQRKUJRNVMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N.C5H12S/c1-5(2)3-4-6;1-5(2,3)6-4/h5H,3-4,6H2,1-2H3;1-4H3.
What are the key properties of 3-methylbutan-1-amine;2-methyl-2-methylsulfanylpropane?
3-methylbutan-1-amine;2-methyl-2-methylsulfanylpropane has a molecular weight of 191.38 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbutan-1-amine;2-methyl-2-methylsulfanylpropane is sourced from PubChem (CID 178163372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).