2-methyl-1-(3-methylsulfanylpropylamino)pentan-2-ol

C10H23NOS — CID 106290245

IUPAC2-methyl-1-(3-methylsulfanylpropylamino)pentan-2-ol
SMILESCCCC(C)(O)CNCCCSC
InChIInChI=1S/C10H23NOS/c1-4-6-10(2,12)9-11-7-5-8-13-3/h11-12H,4-9H2,1-3H3
InChIKeyGBRYPSOXTLZBQG-UHFFFAOYSA-N
MW205.37 g/mol
LogP1.88
Rot. Bonds8

About 2-methyl-1-(3-methylsulfanylpropylamino)pentan-2-ol

2-methyl-1-(3-methylsulfanylpropylamino)pentan-2-ol (PubChem CID 106290245) has the molecular formula C10H23NOS and a molecular weight of 205.37 g/mol. Its IUPAC name is 2-methyl-1-(3-methylsulfanylpropylamino)pentan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(3-methylsulfanylpropylamino)pentan-2-ol
PubChem CID106290245
Molecular FormulaC10H23NOS
Molecular Weight205.37 g/mol
Exact Mass205.15
IUPAC Name2-methyl-1-(3-methylsulfanylpropylamino)pentan-2-ol
SMILESCCCC(C)(O)CNCCCSC
InChIInChI=1S/C10H23NOS/c1-4-6-10(2,12)9-11-7-5-8-13-3/h11-12H,4-9H2,1-3H3
InChIKeyGBRYPSOXTLZBQG-UHFFFAOYSA-N
XLogP1.88
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.37
LogP ≤ 51.88
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-methyl-3-(3-methylsulfanylpropylamino)propane-1,2-diol
CID 66169425
2-methyl-1-(3,3,3-trifluoropropylamino)pentan-2-ol
CID 106292541
2,2-dimethyl-N-(3-methylsulfanylpropyl)butan-1-amine
CID 103699635
2-methyl-1-(propylamino)hexan-2-ol
CID 66039147
2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethylamino]pentan-2-ol
CID 106292488
2-methyl-1-(3-methylbut-3-enylamino)pentan-2-ol
CID 106292807
N'-hydroxy-5-[(2-hydroxy-2-methylpentyl)amino]-2,2-dimethylpentanimidamide
CID 106293197
1-[2-(3-methoxypropoxy)ethylamino]-2-methylpentan-2-ol
CID 106292550
methyl 2,2-dimethyl-3-(3-methylsulfanylpropylamino)propanoate
CID 79623355
3-[(2-hydroxy-2-methylpentyl)amino]-N,N-dimethylpropanamide
CID 106293108
2-methyl-1-(2-propan-2-ylsulfonylethylamino)pentan-2-ol
CID 106293022
2-methyl-1-[3-(oxolan-2-yl)propylamino]pentan-2-ol
CID 104668588

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-methylsulfanylpropylamino)pentan-2-ol?
The IUPAC name of 2-methyl-1-(3-methylsulfanylpropylamino)pentan-2-ol (CID 106290245) is 2-methyl-1-(3-methylsulfanylpropylamino)pentan-2-ol.
What is the SMILES notation for 2-methyl-1-(3-methylsulfanylpropylamino)pentan-2-ol?
The canonical SMILES for 2-methyl-1-(3-methylsulfanylpropylamino)pentan-2-ol is CCCC(C)(O)CNCCCSC.
What is the InChIKey of 2-methyl-1-(3-methylsulfanylpropylamino)pentan-2-ol?
The InChIKey is GBRYPSOXTLZBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NOS/c1-4-6-10(2,12)9-11-7-5-8-13-3/h11-12H,4-9H2,1-3H3.
What are the key properties of 2-methyl-1-(3-methylsulfanylpropylamino)pentan-2-ol?
2-methyl-1-(3-methylsulfanylpropylamino)pentan-2-ol has a molecular weight of 205.37 g/mol, XLogP of 1.88, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-methylsulfanylpropylamino)pentan-2-ol is sourced from PubChem (CID 106290245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).