4-butylsulfanyl-2-methyl-2-(propylamino)pentan-1-ol

C13H29NOS — CID 64821262

IUPAC4-butylsulfanyl-2-methyl-2-(propylamino)pentan-1-ol
SMILESCCCCSC(C)CC(C)(CO)NCCC
InChIInChI=1S/C13H29NOS/c1-5-7-9-16-12(3)10-13(4,11-15)14-8-6-2/h12,14-15H,5-11H2,1-4H3
InChIKeyOFPHRPMBOZADDA-UHFFFAOYSA-N
MW247.45 g/mol
LogP3.05
Rot. Bonds10

About 4-butylsulfanyl-2-methyl-2-(propylamino)pentan-1-ol

4-butylsulfanyl-2-methyl-2-(propylamino)pentan-1-ol (PubChem CID 64821262) has the molecular formula C13H29NOS and a molecular weight of 247.45 g/mol. Its IUPAC name is 4-butylsulfanyl-2-methyl-2-(propylamino)pentan-1-ol.

Molecular Properties

Compound Name4-butylsulfanyl-2-methyl-2-(propylamino)pentan-1-ol
PubChem CID64821262
Molecular FormulaC13H29NOS
Molecular Weight247.45 g/mol
Exact Mass247.20
IUPAC Name4-butylsulfanyl-2-methyl-2-(propylamino)pentan-1-ol
SMILESCCCCSC(C)CC(C)(CO)NCCC
InChIInChI=1S/C13H29NOS/c1-5-7-9-16-12(3)10-13(4,11-15)14-8-6-2/h12,14-15H,5-11H2,1-4H3
InChIKeyOFPHRPMBOZADDA-UHFFFAOYSA-N
XLogP3.05
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.45
LogP ≤ 53.05
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

4-cyclopentylsulfanyl-2-methyl-2-(propylamino)pentan-1-ol
CID 64806975
2-methyl-4-[methyl(2-methylbutan-2-yl)amino]-2-(propylamino)pentan-1-ol
CID 64792229
2-methyl-4-(4-methylphenyl)sulfanyl-2-(propylamino)pentan-1-ol
CID 64808444
2-methyl-4-octoxy-2-(propylamino)pentan-1-ol
CID 64809987
4-(4-bromophenyl)sulfanyl-2-methyl-2-(propylamino)pentan-1-ol
CID 64820388
2-methyl-3-(2-methylpropylsulfanyl)-2-(propylamino)propan-1-ol
CID 64819020
5-butan-2-ylsulfanyl-2-ethyl-2-(propylamino)pentan-1-ol
CID 106811083
2-methyl-4-(2-methyloxolan-3-yl)sulfanyl-2-(propylamino)pentan-1-ol
CID 107764599
4-(2,5-difluorophenyl)sulfanyl-2-methyl-2-(propylamino)pentan-1-ol
CID 64807866
2-methyl-2-(propylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol
CID 64806828
4-(3-methoxypropoxy)-2-methyl-2-(propylamino)pentan-1-ol
CID 64810828
2-methyl-4-(1-methylpyrazol-4-yl)sulfanyl-2-(propylamino)pentan-1-ol
CID 64818569

Frequently Asked Questions

What is the IUPAC name of 4-butylsulfanyl-2-methyl-2-(propylamino)pentan-1-ol?
The IUPAC name of 4-butylsulfanyl-2-methyl-2-(propylamino)pentan-1-ol (CID 64821262) is 4-butylsulfanyl-2-methyl-2-(propylamino)pentan-1-ol.
What is the SMILES notation for 4-butylsulfanyl-2-methyl-2-(propylamino)pentan-1-ol?
The canonical SMILES for 4-butylsulfanyl-2-methyl-2-(propylamino)pentan-1-ol is CCCCSC(C)CC(C)(CO)NCCC.
What is the InChIKey of 4-butylsulfanyl-2-methyl-2-(propylamino)pentan-1-ol?
The InChIKey is OFPHRPMBOZADDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NOS/c1-5-7-9-16-12(3)10-13(4,11-15)14-8-6-2/h12,14-15H,5-11H2,1-4H3.
What are the key properties of 4-butylsulfanyl-2-methyl-2-(propylamino)pentan-1-ol?
4-butylsulfanyl-2-methyl-2-(propylamino)pentan-1-ol has a molecular weight of 247.45 g/mol, XLogP of 3.05, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butylsulfanyl-2-methyl-2-(propylamino)pentan-1-ol is sourced from PubChem (CID 64821262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).