1-[ethyl(2-ethylsulfanylethyl)amino]-2-methylpropan-2-ol

C10H23NOS — CID 111462033

IUPAC1-[ethyl(2-ethylsulfanylethyl)amino]-2-methylpropan-2-ol
SMILESCCSCCN(CC)CC(C)(C)O
InChIInChI=1S/C10H23NOS/c1-5-11(7-8-13-6-2)9-10(3,4)12/h12H,5-9H2,1-4H3
InChIKeySKSWQZYLORJFMZ-UHFFFAOYSA-N
MW205.37 g/mol
LogP1.83
Rot. Bonds7

About 1-[ethyl(2-ethylsulfanylethyl)amino]-2-methylpropan-2-ol

1-[ethyl(2-ethylsulfanylethyl)amino]-2-methylpropan-2-ol (PubChem CID 111462033) has the molecular formula C10H23NOS and a molecular weight of 205.37 g/mol. Its IUPAC name is 1-[ethyl(2-ethylsulfanylethyl)amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[ethyl(2-ethylsulfanylethyl)amino]-2-methylpropan-2-ol
PubChem CID111462033
Molecular FormulaC10H23NOS
Molecular Weight205.37 g/mol
Exact Mass205.15
IUPAC Name1-[ethyl(2-ethylsulfanylethyl)amino]-2-methylpropan-2-ol
SMILESCCSCCN(CC)CC(C)(C)O
InChIInChI=1S/C10H23NOS/c1-5-11(7-8-13-6-2)9-10(3,4)12/h12H,5-9H2,1-4H3
InChIKeySKSWQZYLORJFMZ-UHFFFAOYSA-N
XLogP1.83
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.37
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-aminoethyl(ethyl)amino]-2-methylpropan-2-ol
CID 79006123
1-[ethyl-[2-(4-methylphenyl)sulfanylethyl]amino]-2-methylpropan-2-ol
CID 79390512
1-[dodecyl(ethyl)amino]-2-methylpropan-2-ol
CID 79390324
N,N-diethyl-2-(10-ethylsulfanyldecylsulfanyl)ethanamine
CID 154220966
5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pentan-1-ol
CID 79047122
1-[9-bromononyl(ethyl)amino]-2-methylpropan-2-ol
CID 105343823
5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pentanethioamide
CID 79381978
1-[(2-hydroxy-2-methylpropyl)-propylamino]-2-methylpropan-2-ol
CID 175894515
5-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2,2-dimethylpentanethioamide
CID 79380688
1-[ethyl-[2-(propan-2-ylamino)ethyl]amino]-2-methylpropan-2-ol
CID 79389739
methyl 3-[ethyl-(2-hydroxy-2-methylpropyl)amino]propanoate
CID 62026400
6-[ethyl-(2-hydroxy-2-methylpropyl)amino]hexan-3-one
CID 106801517

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(2-ethylsulfanylethyl)amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[ethyl(2-ethylsulfanylethyl)amino]-2-methylpropan-2-ol (CID 111462033) is 1-[ethyl(2-ethylsulfanylethyl)amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[ethyl(2-ethylsulfanylethyl)amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[ethyl(2-ethylsulfanylethyl)amino]-2-methylpropan-2-ol is CCSCCN(CC)CC(C)(C)O.
What is the InChIKey of 1-[ethyl(2-ethylsulfanylethyl)amino]-2-methylpropan-2-ol?
The InChIKey is SKSWQZYLORJFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NOS/c1-5-11(7-8-13-6-2)9-10(3,4)12/h12H,5-9H2,1-4H3.
What are the key properties of 1-[ethyl(2-ethylsulfanylethyl)amino]-2-methylpropan-2-ol?
1-[ethyl(2-ethylsulfanylethyl)amino]-2-methylpropan-2-ol has a molecular weight of 205.37 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(2-ethylsulfanylethyl)amino]-2-methylpropan-2-ol is sourced from PubChem (CID 111462033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).