2-[3-(4-methylpentan-2-ylideneamino)propylsulfanyl]ethanol

C11H23NOS — CID 139903999

IUPAC2-[3-(4-methylpentan-2-ylideneamino)propylsulfanyl]ethanol
SMILESC/C(CC(C)C)=N\CCCSCCO
InChIInChI=1S/C11H23NOS/c1-10(2)9-11(3)12-5-4-7-14-8-6-13/h10,13H,4-9H2,1-3H3/b12-11+
InChIKeyRAWAZWDGOSCDTF-VAWYXSNFSA-N
MW217.38 g/mol
LogP2.61
Rot. Bonds8

About 2-[3-(4-methylpentan-2-ylideneamino)propylsulfanyl]ethanol

2-[3-(4-methylpentan-2-ylideneamino)propylsulfanyl]ethanol (PubChem CID 139903999) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is 2-[3-(4-methylpentan-2-ylideneamino)propylsulfanyl]ethanol.

Molecular Properties

Compound Name2-[3-(4-methylpentan-2-ylideneamino)propylsulfanyl]ethanol
PubChem CID139903999
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC Name2-[3-(4-methylpentan-2-ylideneamino)propylsulfanyl]ethanol
SMILESC/C(CC(C)C)=N\CCCSCCO
InChIInChI=1S/C11H23NOS/c1-10(2)9-11(3)12-5-4-7-14-8-6-13/h10,13H,4-9H2,1-3H3/b12-11+
InChIKeyRAWAZWDGOSCDTF-VAWYXSNFSA-N
XLogP2.61
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-[4-(4-methylpentan-2-ylideneamino)butyl]pentan-2-imine
CID 71352712
N-hexadecyl-4-methylpentan-2-imine
CID 102140626
N-methyl-3-(4-methylpentan-2-ylideneamino)-N-[3-(4-methylpentan-2-ylideneamino)propyl]propan-1-amine
CID 167613512
2-(3-fluorobutylsulfanyl)ethanol
CID 130735395
2-pentadecylsulfanylethanol
CID 13120338
2-[2-(2-methylpropoxy)ethylsulfanyl]ethanol
CID 106454957
2-(3-phosphanylpropylsulfanyl)ethanol
CID 134255121
2-(2-hydroxyethylsulfanyl)ethanol;bis(3-sulfanylbutanoic acid)
CID 135306911
ethyl 4-[methyl-[3-(4-methylpentan-2-ylideneamino)propyl]amino]butanoate
CID 135389538
1-chloro-2-[2-(2-hydroxyethylsulfanyl)ethyl]guanidine
CID 118327771
2-ethyl-4-[methyl-[3-(4-methylpentan-2-ylideneamino)propyl]amino]butanoic acid
CID 135389537
N-(3-ethoxytridecyl)-4-methylpentan-2-imine
CID 151135054

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methylpentan-2-ylideneamino)propylsulfanyl]ethanol?
The IUPAC name of 2-[3-(4-methylpentan-2-ylideneamino)propylsulfanyl]ethanol (CID 139903999) is 2-[3-(4-methylpentan-2-ylideneamino)propylsulfanyl]ethanol.
What is the SMILES notation for 2-[3-(4-methylpentan-2-ylideneamino)propylsulfanyl]ethanol?
The canonical SMILES for 2-[3-(4-methylpentan-2-ylideneamino)propylsulfanyl]ethanol is C/C(CC(C)C)=N\CCCSCCO.
What is the InChIKey of 2-[3-(4-methylpentan-2-ylideneamino)propylsulfanyl]ethanol?
The InChIKey is RAWAZWDGOSCDTF-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H23NOS/c1-10(2)9-11(3)12-5-4-7-14-8-6-13/h10,13H,4-9H2,1-3H3/b12-11+.
What are the key properties of 2-[3-(4-methylpentan-2-ylideneamino)propylsulfanyl]ethanol?
2-[3-(4-methylpentan-2-ylideneamino)propylsulfanyl]ethanol has a molecular weight of 217.38 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methylpentan-2-ylideneamino)propylsulfanyl]ethanol is sourced from PubChem (CID 139903999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).