2-methyl-2-[methyl(3-methylsulfanylpropyl)amino]propan-1-ol

C9H21NOS — CID 115665583

IUPAC2-methyl-2-[methyl(3-methylsulfanylpropyl)amino]propan-1-ol
SMILESCSCCCN(C)C(C)(C)CO
InChIInChI=1S/C9H21NOS/c1-9(2,8-11)10(3)6-5-7-12-4/h11H,5-8H2,1-4H3
InChIKeyUYDDVGXCIYRQGB-UHFFFAOYSA-N
MW191.34 g/mol
LogP1.44
Rot. Bonds6

About 2-methyl-2-[methyl(3-methylsulfanylpropyl)amino]propan-1-ol

2-methyl-2-[methyl(3-methylsulfanylpropyl)amino]propan-1-ol (PubChem CID 115665583) has the molecular formula C9H21NOS and a molecular weight of 191.34 g/mol. Its IUPAC name is 2-methyl-2-[methyl(3-methylsulfanylpropyl)amino]propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[methyl(3-methylsulfanylpropyl)amino]propan-1-ol
PubChem CID115665583
Molecular FormulaC9H21NOS
Molecular Weight191.34 g/mol
Exact Mass191.13
IUPAC Name2-methyl-2-[methyl(3-methylsulfanylpropyl)amino]propan-1-ol
SMILESCSCCCN(C)C(C)(C)CO
InChIInChI=1S/C9H21NOS/c1-9(2,8-11)10(3)6-5-7-12-4/h11H,5-8H2,1-4H3
InChIKeyUYDDVGXCIYRQGB-UHFFFAOYSA-N
XLogP1.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.34
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[heptyl(methyl)amino]-2-methylpropan-1-ol
CID 115644310
2-[4-methoxybutyl(methyl)amino]-2-methylpropan-1-ol
CID 115638029
2-N,2-dimethyl-2-N-(2-methylsulfanylethyl)propane-1,2-diamine
CID 112658217
2-N,2-dimethyl-2-N-(3-methylsulfanylpropyl)octane-1,2-diamine
CID 114236764
N',2,2-trimethyl-N'-(3-methylsulfanylpropyl)propane-1,3-diamine
CID 79644855
2-methyl-2-[methyl(3-methylbut-3-enyl)amino]propan-1-ol
CID 114449001
1-[methyl(3-methylsulfanylpropyl)amino]propan-2-ol
CID 115665602
N,N-dimethyl-4-methylsulfanylbutan-1-amine
CID 54463978
2-methyl-2-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propan-1-ol
CID 115638162
(2S)-2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-4-methylsulfanylbutanamide
CID 104863936
2-[methyl(3-methylsulfanylpropyl)amino]ethanethiol
CID 130490537
N'-ethyl-2,2-dimethyl-N'-(3-methylsulfanylpropyl)propane-1,3-diamine
CID 79659864

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl(3-methylsulfanylpropyl)amino]propan-1-ol?
The IUPAC name of 2-methyl-2-[methyl(3-methylsulfanylpropyl)amino]propan-1-ol (CID 115665583) is 2-methyl-2-[methyl(3-methylsulfanylpropyl)amino]propan-1-ol.
What is the SMILES notation for 2-methyl-2-[methyl(3-methylsulfanylpropyl)amino]propan-1-ol?
The canonical SMILES for 2-methyl-2-[methyl(3-methylsulfanylpropyl)amino]propan-1-ol is CSCCCN(C)C(C)(C)CO.
What is the InChIKey of 2-methyl-2-[methyl(3-methylsulfanylpropyl)amino]propan-1-ol?
The InChIKey is UYDDVGXCIYRQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NOS/c1-9(2,8-11)10(3)6-5-7-12-4/h11H,5-8H2,1-4H3.
What are the key properties of 2-methyl-2-[methyl(3-methylsulfanylpropyl)amino]propan-1-ol?
2-methyl-2-[methyl(3-methylsulfanylpropyl)amino]propan-1-ol has a molecular weight of 191.34 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl(3-methylsulfanylpropyl)amino]propan-1-ol is sourced from PubChem (CID 115665583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).