2-amino-2-methyl-6-methylsulfanylhexan-1-ol

C8H19NOS — CID 64806024

IUPAC2-amino-2-methyl-6-methylsulfanylhexan-1-ol
SMILESCSCCCCC(C)(N)CO
InChIInChI=1S/C8H19NOS/c1-8(9,7-10)5-3-4-6-11-2/h10H,3-7,9H2,1-2H3
InChIKeyKYTPYUQMRBJEQH-UHFFFAOYSA-N
MW177.31 g/mol
LogP1.23
Rot. Bonds6

About 2-amino-2-methyl-6-methylsulfanylhexan-1-ol

2-amino-2-methyl-6-methylsulfanylhexan-1-ol (PubChem CID 64806024) has the molecular formula C8H19NOS and a molecular weight of 177.31 g/mol. Its IUPAC name is 2-amino-2-methyl-6-methylsulfanylhexan-1-ol.

Molecular Properties

Compound Name2-amino-2-methyl-6-methylsulfanylhexan-1-ol
PubChem CID64806024
Molecular FormulaC8H19NOS
Molecular Weight177.31 g/mol
Exact Mass177.12
IUPAC Name2-amino-2-methyl-6-methylsulfanylhexan-1-ol
SMILESCSCCCCC(C)(N)CO
InChIInChI=1S/C8H19NOS/c1-8(9,7-10)5-3-4-6-11-2/h10H,3-7,9H2,1-2H3
InChIKeyKYTPYUQMRBJEQH-UHFFFAOYSA-N
XLogP1.23
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.31
LogP ≤ 51.23
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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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-6-methylsulfanylhexan-1-ol?
The IUPAC name of 2-amino-2-methyl-6-methylsulfanylhexan-1-ol (CID 64806024) is 2-amino-2-methyl-6-methylsulfanylhexan-1-ol.
What is the SMILES notation for 2-amino-2-methyl-6-methylsulfanylhexan-1-ol?
The canonical SMILES for 2-amino-2-methyl-6-methylsulfanylhexan-1-ol is CSCCCCC(C)(N)CO.
What is the InChIKey of 2-amino-2-methyl-6-methylsulfanylhexan-1-ol?
The InChIKey is KYTPYUQMRBJEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NOS/c1-8(9,7-10)5-3-4-6-11-2/h10H,3-7,9H2,1-2H3.
What are the key properties of 2-amino-2-methyl-6-methylsulfanylhexan-1-ol?
2-amino-2-methyl-6-methylsulfanylhexan-1-ol has a molecular weight of 177.31 g/mol, XLogP of 1.23, 6 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-methylsulfanylhexan-1-ol is sourced from PubChem (CID 64806024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).