N-(2-ethylsulfanylethyl)-1-methoxy-2-methylpropan-2-amine

C9H21NOS — CID 115648465

IUPACN-(2-ethylsulfanylethyl)-1-methoxy-2-methylpropan-2-amine
SMILESCCSCCNC(C)(C)COC
InChIInChI=1S/C9H21NOS/c1-5-12-7-6-10-9(2,3)8-11-4/h10H,5-8H2,1-4H3
InChIKeyMCZJVYSHDPFELI-UHFFFAOYSA-N
MW191.34 g/mol
LogP1.75
Rot. Bonds7

About N-(2-ethylsulfanylethyl)-1-methoxy-2-methylpropan-2-amine

N-(2-ethylsulfanylethyl)-1-methoxy-2-methylpropan-2-amine (PubChem CID 115648465) has the molecular formula C9H21NOS and a molecular weight of 191.34 g/mol. Its IUPAC name is N-(2-ethylsulfanylethyl)-1-methoxy-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-(2-ethylsulfanylethyl)-1-methoxy-2-methylpropan-2-amine
PubChem CID115648465
Molecular FormulaC9H21NOS
Molecular Weight191.34 g/mol
Exact Mass191.13
IUPAC NameN-(2-ethylsulfanylethyl)-1-methoxy-2-methylpropan-2-amine
SMILESCCSCCNC(C)(C)COC
InChIInChI=1S/C9H21NOS/c1-5-12-7-6-10-9(2,3)8-11-4/h10H,5-8H2,1-4H3
InChIKeyMCZJVYSHDPFELI-UHFFFAOYSA-N
XLogP1.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.34
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-ethylsulfanylethyl)-1-methoxy-2-methylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methoxy-N-(2-methoxyethyl)-2-methylpropan-2-amine
CID 115609446
N-(1-methoxy-2-methylpropan-2-yl)hexan-1-amine
CID 115644983
ethane;N-ethyl-1-methoxy-2-methylpropan-2-amine
CID 177317291
1-methoxy-2-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]propan-2-amine
CID 115609397
4-[(1-methoxy-2-methylpropan-2-yl)amino]-2-methylbutan-2-ol
CID 115679518
N-(2-tert-butylsulfonylethyl)-1-methoxy-2-methylpropan-2-amine
CID 103713921
1-methoxy-N-[2-(3-methoxypropoxy)ethyl]-2-methylpropan-2-amine
CID 103179461
N-(1-methoxy-2-methylpropan-2-yl)-2-methylpentan-1-amine
CID 115906085
2-[2-[(1-methoxy-2-methylpropan-2-yl)amino]ethoxy]ethanol
CID 115643011
1-methoxy-2-methyl-N-(2-pyrrolidin-1-ylethyl)propan-2-amine
CID 103864713
2-ethylsulfanyl-N-methylethanamine
CID 18683899
chromium(3+);2-ethylsulfanyl-N-(2-ethylsulfanylethyl)ethanamine;trichloride
CID 139119576

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfanylethyl)-1-methoxy-2-methylpropan-2-amine?
The IUPAC name of N-(2-ethylsulfanylethyl)-1-methoxy-2-methylpropan-2-amine (CID 115648465) is N-(2-ethylsulfanylethyl)-1-methoxy-2-methylpropan-2-amine.
What is the SMILES notation for N-(2-ethylsulfanylethyl)-1-methoxy-2-methylpropan-2-amine?
The canonical SMILES for N-(2-ethylsulfanylethyl)-1-methoxy-2-methylpropan-2-amine is CCSCCNC(C)(C)COC.
What is the InChIKey of N-(2-ethylsulfanylethyl)-1-methoxy-2-methylpropan-2-amine?
The InChIKey is MCZJVYSHDPFELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NOS/c1-5-12-7-6-10-9(2,3)8-11-4/h10H,5-8H2,1-4H3.
What are the key properties of N-(2-ethylsulfanylethyl)-1-methoxy-2-methylpropan-2-amine?
N-(2-ethylsulfanylethyl)-1-methoxy-2-methylpropan-2-amine has a molecular weight of 191.34 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfanylethyl)-1-methoxy-2-methylpropan-2-amine is sourced from PubChem (CID 115648465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).