3-methoxy-2-N-methyl-2-N-(1-methylsulfanylbutan-2-yl)-1-N-propylpropane-1,2-diamine

C13H30N2OS — CID 103227188

IUPAC3-methoxy-2-N-methyl-2-N-(1-methylsulfanylbutan-2-yl)-1-N-propylpropane-1,2-diamine
SMILESCCCNCC(COC)N(C)C(CC)CSC
InChIInChI=1S/C13H30N2OS/c1-6-8-14-9-13(10-16-4)15(3)12(7-2)11-17-5/h12-14H,6-11H2,1-5H3
InChIKeyRZHZSIWCFDJBEX-UHFFFAOYSA-N
MW262.46 g/mol
LogP2.07
Rot. Bonds11

About 3-methoxy-2-N-methyl-2-N-(1-methylsulfanylbutan-2-yl)-1-N-propylpropane-1,2-diamine

3-methoxy-2-N-methyl-2-N-(1-methylsulfanylbutan-2-yl)-1-N-propylpropane-1,2-diamine (PubChem CID 103227188) has the molecular formula C13H30N2OS and a molecular weight of 262.46 g/mol. Its IUPAC name is 3-methoxy-2-N-methyl-2-N-(1-methylsulfanylbutan-2-yl)-1-N-propylpropane-1,2-diamine.

Molecular Properties

Compound Name3-methoxy-2-N-methyl-2-N-(1-methylsulfanylbutan-2-yl)-1-N-propylpropane-1,2-diamine
PubChem CID103227188
Molecular FormulaC13H30N2OS
Molecular Weight262.46 g/mol
Exact Mass262.21
IUPAC Name3-methoxy-2-N-methyl-2-N-(1-methylsulfanylbutan-2-yl)-1-N-propylpropane-1,2-diamine
SMILESCCCNCC(COC)N(C)C(CC)CSC
InChIInChI=1S/C13H30N2OS/c1-6-8-14-9-13(10-16-4)15(3)12(7-2)11-17-5/h12-14H,6-11H2,1-5H3
InChIKeyRZHZSIWCFDJBEX-UHFFFAOYSA-N
XLogP2.07
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.46
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-2-N-(2-methoxyethyl)-2-N-methyl-1-N-propylpropane-1,2-diamine
CID 103226294
3-methoxy-2-N,2-N-bis(prop-2-enyl)-1-N-propylpropane-1,2-diamine
CID 103225186
2-N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methoxy-2-N-methyl-1-N-propylpropane-1,2-diamine
CID 103227382
3-methoxy-2-N-methyl-2-N-(4-methylcyclohexyl)-1-N-propylpropane-1,2-diamine
CID 103224985
3-methoxy-2-[methyl(1-methylsulfanylbutan-2-yl)amino]propanoic acid
CID 103224864
3-methoxy-2-N-methyl-1-N-propyl-2-N-(thiophen-3-ylmethyl)propane-1,2-diamine
CID 103225664
1-N-ethyl-3-methoxy-2-N-methyl-2-N-propan-2-ylpropane-1,2-diamine
CID 103225357
1-N-ethyl-2-N,3-dimethyl-2-N-(1-methylsulfanylbutan-2-yl)butane-1,2-diamine
CID 112665752
3-methoxy-2-N-[(4-methoxyphenyl)methyl]-2-N-methyl-1-N-propylpropane-1,2-diamine
CID 103226082
2-N-ethyl-2-N-(1-methoxypropan-2-yl)-1-N-propylpentane-1,2-diamine
CID 83054922
1-N-ethyl-3-methoxy-2-N-methyl-2-N-(3-methylbutan-2-yl)propane-1,2-diamine
CID 103225707
N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-(propylaminomethyl)cyclobutan-1-amine
CID 112665784

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-N-methyl-2-N-(1-methylsulfanylbutan-2-yl)-1-N-propylpropane-1,2-diamine?
The IUPAC name of 3-methoxy-2-N-methyl-2-N-(1-methylsulfanylbutan-2-yl)-1-N-propylpropane-1,2-diamine (CID 103227188) is 3-methoxy-2-N-methyl-2-N-(1-methylsulfanylbutan-2-yl)-1-N-propylpropane-1,2-diamine.
What is the SMILES notation for 3-methoxy-2-N-methyl-2-N-(1-methylsulfanylbutan-2-yl)-1-N-propylpropane-1,2-diamine?
The canonical SMILES for 3-methoxy-2-N-methyl-2-N-(1-methylsulfanylbutan-2-yl)-1-N-propylpropane-1,2-diamine is CCCNCC(COC)N(C)C(CC)CSC.
What is the InChIKey of 3-methoxy-2-N-methyl-2-N-(1-methylsulfanylbutan-2-yl)-1-N-propylpropane-1,2-diamine?
The InChIKey is RZHZSIWCFDJBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2OS/c1-6-8-14-9-13(10-16-4)15(3)12(7-2)11-17-5/h12-14H,6-11H2,1-5H3.
What are the key properties of 3-methoxy-2-N-methyl-2-N-(1-methylsulfanylbutan-2-yl)-1-N-propylpropane-1,2-diamine?
3-methoxy-2-N-methyl-2-N-(1-methylsulfanylbutan-2-yl)-1-N-propylpropane-1,2-diamine has a molecular weight of 262.46 g/mol, XLogP of 2.07, 11 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-(1-methylsulfanylbutan-2-yl)-1-N-propylpropane-1,2-diamine is sourced from PubChem (CID 103227188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).