3-methoxy-2-N-methyl-2-N-(2-methylsulfanylethyl)propane-1,2-diamine

C8H20N2OS — CID 103227183

IUPAC3-methoxy-2-N-methyl-2-N-(2-methylsulfanylethyl)propane-1,2-diamine
SMILESCOCC(CN)N(C)CCSC
InChIInChI=1S/C8H20N2OS/c1-10(4-5-12-3)8(6-9)7-11-2/h8H,4-7,9H2,1-3H3
InChIKeyQGPXBUZNFWKAMV-UHFFFAOYSA-N
MW192.33 g/mol
LogP0.25
Rot. Bonds7

About 3-methoxy-2-N-methyl-2-N-(2-methylsulfanylethyl)propane-1,2-diamine

3-methoxy-2-N-methyl-2-N-(2-methylsulfanylethyl)propane-1,2-diamine (PubChem CID 103227183) has the molecular formula C8H20N2OS and a molecular weight of 192.33 g/mol. Its IUPAC name is 3-methoxy-2-N-methyl-2-N-(2-methylsulfanylethyl)propane-1,2-diamine.

Molecular Properties

Compound Name3-methoxy-2-N-methyl-2-N-(2-methylsulfanylethyl)propane-1,2-diamine
PubChem CID103227183
Molecular FormulaC8H20N2OS
Molecular Weight192.33 g/mol
Exact Mass192.13
IUPAC Name3-methoxy-2-N-methyl-2-N-(2-methylsulfanylethyl)propane-1,2-diamine
SMILESCOCC(CN)N(C)CCSC
InChIInChI=1S/C8H20N2OS/c1-10(4-5-12-3)8(6-9)7-11-2/h8H,4-7,9H2,1-3H3
InChIKeyQGPXBUZNFWKAMV-UHFFFAOYSA-N
XLogP0.25
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.33
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-1-N,2-N-dimethyl-2-N-(2-methylsulfanylethyl)propane-1,2-diamine
CID 103227178
3-amino-2-[2-methoxyethyl(methyl)amino]propan-1-ol
CID 104710884
2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)-5-methylsulfanylpentane-1,2-diamine
CID 103088754
5-methoxy-4-N-(2-methoxyethyl)-4-N-methylpentane-1,4-diamine
CID 103391769
3-amino-2-[3-methoxypropyl(methyl)amino]propan-1-ol
CID 104710985
3-methoxy-2-N-methyl-2-N-(3-methylbutan-2-yl)propane-1,2-diamine
CID 103225710
2-N-cyclopropyl-2-N-(2-methoxyethyl)-4-methylsulfanylbutane-1,2-diamine
CID 61453540
(2S)-2-N-(2-methoxyethyl)-2-N-methyl-3-phenoxypropane-1,2-diamine
CID 125479389
2-N-cyclopropyl-3-methoxy-2-N-methylpropane-1,2-diamine
CID 103225536
N-methyl-N-(2-methylsulfanylethyl)-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 112658310
2-N-(1-cyclopropylethyl)-2-N-(2-methoxyethyl)-4-methylsulfanylbutane-1,2-diamine
CID 55004208
2-N-(2-methoxyethyl)-2-N-methyloctane-1,2-diamine
CID 61427745

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-N-methyl-2-N-(2-methylsulfanylethyl)propane-1,2-diamine?
The IUPAC name of 3-methoxy-2-N-methyl-2-N-(2-methylsulfanylethyl)propane-1,2-diamine (CID 103227183) is 3-methoxy-2-N-methyl-2-N-(2-methylsulfanylethyl)propane-1,2-diamine.
What is the SMILES notation for 3-methoxy-2-N-methyl-2-N-(2-methylsulfanylethyl)propane-1,2-diamine?
The canonical SMILES for 3-methoxy-2-N-methyl-2-N-(2-methylsulfanylethyl)propane-1,2-diamine is COCC(CN)N(C)CCSC.
What is the InChIKey of 3-methoxy-2-N-methyl-2-N-(2-methylsulfanylethyl)propane-1,2-diamine?
The InChIKey is QGPXBUZNFWKAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2OS/c1-10(4-5-12-3)8(6-9)7-11-2/h8H,4-7,9H2,1-3H3.
What are the key properties of 3-methoxy-2-N-methyl-2-N-(2-methylsulfanylethyl)propane-1,2-diamine?
3-methoxy-2-N-methyl-2-N-(2-methylsulfanylethyl)propane-1,2-diamine has a molecular weight of 192.33 g/mol, XLogP of 0.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-N-methyl-2-N-(2-methylsulfanylethyl)propane-1,2-diamine is sourced from PubChem (CID 103227183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).