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

C10H23NOS — CID 61247429

IUPAC4-methyl-2-(3-methylsulfanylpropylamino)pentan-1-ol
SMILESCSCCCNC(CO)CC(C)C
InChIInChI=1S/C10H23NOS/c1-9(2)7-10(8-12)11-5-4-6-13-3/h9-12H,4-8H2,1-3H3
InChIKeyCCYIPYILEUVTPU-UHFFFAOYSA-N
MW205.37 g/mol
LogP1.74
Rot. Bonds8

About 4-methyl-2-(3-methylsulfanylpropylamino)pentan-1-ol

4-methyl-2-(3-methylsulfanylpropylamino)pentan-1-ol (PubChem CID 61247429) has the molecular formula C10H23NOS and a molecular weight of 205.37 g/mol. Its IUPAC name is 4-methyl-2-(3-methylsulfanylpropylamino)pentan-1-ol.

Molecular Properties

Compound Name4-methyl-2-(3-methylsulfanylpropylamino)pentan-1-ol
PubChem CID61247429
Molecular FormulaC10H23NOS
Molecular Weight205.37 g/mol
Exact Mass205.15
IUPAC Name4-methyl-2-(3-methylsulfanylpropylamino)pentan-1-ol
SMILESCSCCCNC(CO)CC(C)C
InChIInChI=1S/C10H23NOS/c1-9(2)7-10(8-12)11-5-4-6-13-3/h9-12H,4-8H2,1-3H3
InChIKeyCCYIPYILEUVTPU-UHFFFAOYSA-N
XLogP1.74
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 ≤ 51.74
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 4-methyl-2-(3-methylsulfanylpropylamino)pentan-1-ol?
The IUPAC name of 4-methyl-2-(3-methylsulfanylpropylamino)pentan-1-ol (CID 61247429) is 4-methyl-2-(3-methylsulfanylpropylamino)pentan-1-ol.
What is the SMILES notation for 4-methyl-2-(3-methylsulfanylpropylamino)pentan-1-ol?
The canonical SMILES for 4-methyl-2-(3-methylsulfanylpropylamino)pentan-1-ol is CSCCCNC(CO)CC(C)C.
What is the InChIKey of 4-methyl-2-(3-methylsulfanylpropylamino)pentan-1-ol?
The InChIKey is CCYIPYILEUVTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NOS/c1-9(2)7-10(8-12)11-5-4-6-13-3/h9-12H,4-8H2,1-3H3.
What are the key properties of 4-methyl-2-(3-methylsulfanylpropylamino)pentan-1-ol?
4-methyl-2-(3-methylsulfanylpropylamino)pentan-1-ol has a molecular weight of 205.37 g/mol, XLogP of 1.74, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3-methylsulfanylpropylamino)pentan-1-ol is sourced from PubChem (CID 61247429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).