2-amino-2-methyl-6-(3-methylbutan-2-ylsulfanyl)hexan-1-ol

C12H27NOS — CID 107764728

IUPAC2-amino-2-methyl-6-(3-methylbutan-2-ylsulfanyl)hexan-1-ol
SMILESCC(C)C(C)SCCCCC(C)(N)CO
InChIInChI=1S/C12H27NOS/c1-10(2)11(3)15-8-6-5-7-12(4,13)9-14/h10-11,14H,5-9,13H2,1-4H3
InChIKeyPXHMRICSUCUSDN-UHFFFAOYSA-N
MW233.42 g/mol
LogP2.64
Rot. Bonds8

About 2-amino-2-methyl-6-(3-methylbutan-2-ylsulfanyl)hexan-1-ol

2-amino-2-methyl-6-(3-methylbutan-2-ylsulfanyl)hexan-1-ol (PubChem CID 107764728) has the molecular formula C12H27NOS and a molecular weight of 233.42 g/mol. Its IUPAC name is 2-amino-2-methyl-6-(3-methylbutan-2-ylsulfanyl)hexan-1-ol.

Molecular Properties

Compound Name2-amino-2-methyl-6-(3-methylbutan-2-ylsulfanyl)hexan-1-ol
PubChem CID107764728
Molecular FormulaC12H27NOS
Molecular Weight233.42 g/mol
Exact Mass233.18
IUPAC Name2-amino-2-methyl-6-(3-methylbutan-2-ylsulfanyl)hexan-1-ol
SMILESCC(C)C(C)SCCCCC(C)(N)CO
InChIInChI=1S/C12H27NOS/c1-10(2)11(3)15-8-6-5-7-12(4,13)9-14/h10-11,14H,5-9,13H2,1-4H3
InChIKeyPXHMRICSUCUSDN-UHFFFAOYSA-N
XLogP2.64
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.42
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-butan-2-ylsulfanyl-2-methylpentan-1-ol
CID 64821293
2-amino-2-methyl-3-(3-methylbutan-2-ylsulfanyl)propan-1-ol
CID 107764725
2-amino-2-methyl-6-pentylsulfanylhexan-1-ol
CID 107764656
2-amino-2-methylhexadecan-1-ol
CID 87201246
(2R)-2-amino-2-methylhexan-1-ol
CID 55277892
2,2-dimethyl-6-(3-methylbutan-2-ylsulfanyl)hexanenitrile
CID 106832432
2-amino-2-methyl-5-(3-methylbutan-2-ylsulfanyl)pentanenitrile
CID 107755001
2-amino-2-methyl-5-(2-methylbutylsulfanyl)pentan-1-ol
CID 107764817
2-amino-6-(3-hydroxybutan-2-ylsulfanyl)-2-methylhexanenitrile
CID 107771673
2-amino-2-methyl-4-(3-methylbutan-2-ylsulfanyl)butanoic acid
CID 107755874
methyl 2-methyl-2-(methylamino)-6-(3-methylbutan-2-ylsulfanyl)hexanoate
CID 107755841
2-amino-2-methyl-6-(2-methylphenyl)sulfanylhexan-1-ol
CID 64807687

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-6-(3-methylbutan-2-ylsulfanyl)hexan-1-ol?
The IUPAC name of 2-amino-2-methyl-6-(3-methylbutan-2-ylsulfanyl)hexan-1-ol (CID 107764728) is 2-amino-2-methyl-6-(3-methylbutan-2-ylsulfanyl)hexan-1-ol.
What is the SMILES notation for 2-amino-2-methyl-6-(3-methylbutan-2-ylsulfanyl)hexan-1-ol?
The canonical SMILES for 2-amino-2-methyl-6-(3-methylbutan-2-ylsulfanyl)hexan-1-ol is CC(C)C(C)SCCCCC(C)(N)CO.
What is the InChIKey of 2-amino-2-methyl-6-(3-methylbutan-2-ylsulfanyl)hexan-1-ol?
The InChIKey is PXHMRICSUCUSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NOS/c1-10(2)11(3)15-8-6-5-7-12(4,13)9-14/h10-11,14H,5-9,13H2,1-4H3.
What are the key properties of 2-amino-2-methyl-6-(3-methylbutan-2-ylsulfanyl)hexan-1-ol?
2-amino-2-methyl-6-(3-methylbutan-2-ylsulfanyl)hexan-1-ol has a molecular weight of 233.42 g/mol, XLogP of 2.64, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-6-(3-methylbutan-2-ylsulfanyl)hexan-1-ol is sourced from PubChem (CID 107764728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).