1-[2,2-dimethylpropyl(dimethyl)-λ4-sulfanyl]-N,N-dimethylmethanamine

C10H25NS — CID 139304935

IUPAC1-[2,2-dimethylpropyl(dimethyl)-λ4-sulfanyl]-N,N-dimethylmethanamine
SMILESCN(C)CS(C)(C)CC(C)(C)C
InChIInChI=1S/C10H25NS/c1-10(2,3)8-12(6,7)9-11(4)5/h8-9H2,1-7H3
InChIKeyVYPJMXOUZGIQLF-UHFFFAOYSA-N
MW191.38 g/mol
LogP2.62
Rot. Bonds3

About 1-[2,2-dimethylpropyl(dimethyl)-λ4-sulfanyl]-N,N-dimethylmethanamine

1-[2,2-dimethylpropyl(dimethyl)-λ4-sulfanyl]-N,N-dimethylmethanamine (PubChem CID 139304935) has the molecular formula C10H25NS and a molecular weight of 191.38 g/mol. Its IUPAC name is 1-[2,2-dimethylpropyl(dimethyl)-λ4-sulfanyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[2,2-dimethylpropyl(dimethyl)-λ4-sulfanyl]-N,N-dimethylmethanamine
PubChem CID139304935
Molecular FormulaC10H25NS
Molecular Weight191.38 g/mol
Exact Mass191.17
IUPAC Name1-[2,2-dimethylpropyl(dimethyl)-λ4-sulfanyl]-N,N-dimethylmethanamine
SMILESCN(C)CS(C)(C)CC(C)(C)C
InChIInChI=1S/C10H25NS/c1-10(2,3)8-12(6,7)9-11(4)5/h8-9H2,1-7H3
InChIKeyVYPJMXOUZGIQLF-UHFFFAOYSA-N
XLogP2.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.38
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2,2-dimethylpropyl(dimethyl)-λ4-sulfanyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[2,2-dimethylpropyl(dimethyl)-λ4-sulfanyl]-N,N-dimethylmethanamine (CID 139304935) is 1-[2,2-dimethylpropyl(dimethyl)-λ4-sulfanyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[2,2-dimethylpropyl(dimethyl)-λ4-sulfanyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[2,2-dimethylpropyl(dimethyl)-λ4-sulfanyl]-N,N-dimethylmethanamine is CN(C)CS(C)(C)CC(C)(C)C.
What is the InChIKey of 1-[2,2-dimethylpropyl(dimethyl)-λ4-sulfanyl]-N,N-dimethylmethanamine?
The InChIKey is VYPJMXOUZGIQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H25NS/c1-10(2,3)8-12(6,7)9-11(4)5/h8-9H2,1-7H3.
What are the key properties of 1-[2,2-dimethylpropyl(dimethyl)-λ4-sulfanyl]-N,N-dimethylmethanamine?
1-[2,2-dimethylpropyl(dimethyl)-λ4-sulfanyl]-N,N-dimethylmethanamine has a molecular weight of 191.38 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-dimethylpropyl(dimethyl)-λ4-sulfanyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 139304935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).