3-methoxy-1-N,2-N-dimethyl-1-N-(3-methylbutan-2-yl)propane-1,2-diamine

C11H26N2O — CID 107505408

IUPAC3-methoxy-1-N,2-N-dimethyl-1-N-(3-methylbutan-2-yl)propane-1,2-diamine
SMILESCNC(COC)CN(C)C(C)C(C)C
InChIInChI=1S/C11H26N2O/c1-9(2)10(3)13(5)7-11(12-4)8-14-6/h9-12H,7-8H2,1-6H3
InChIKeyMKWZMQGAEWTZAV-UHFFFAOYSA-N
MW202.34 g/mol
LogP1.20
Rot. Bonds7

About 3-methoxy-1-N,2-N-dimethyl-1-N-(3-methylbutan-2-yl)propane-1,2-diamine

3-methoxy-1-N,2-N-dimethyl-1-N-(3-methylbutan-2-yl)propane-1,2-diamine (PubChem CID 107505408) has the molecular formula C11H26N2O and a molecular weight of 202.34 g/mol. Its IUPAC name is 3-methoxy-1-N,2-N-dimethyl-1-N-(3-methylbutan-2-yl)propane-1,2-diamine.

Molecular Properties

Compound Name3-methoxy-1-N,2-N-dimethyl-1-N-(3-methylbutan-2-yl)propane-1,2-diamine
PubChem CID107505408
Molecular FormulaC11H26N2O
Molecular Weight202.34 g/mol
Exact Mass202.20
IUPAC Name3-methoxy-1-N,2-N-dimethyl-1-N-(3-methylbutan-2-yl)propane-1,2-diamine
SMILESCNC(COC)CN(C)C(C)C(C)C
InChIInChI=1S/C11H26N2O/c1-9(2)10(3)13(5)7-11(12-4)8-14-6/h9-12H,7-8H2,1-6H3
InChIKeyMKWZMQGAEWTZAV-UHFFFAOYSA-N
XLogP1.20
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-1-N,2-N-dimethyl-1-N-(4-methylpentan-2-yl)propane-1,2-diamine
CID 107505560
3-methoxy-1-N,2-N-dimethyl-1-N-pentan-3-ylpropane-1,2-diamine
CID 107505411
1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethyl-3-methoxy-2-N-methylpropane-1,2-diamine
CID 107505986
1,3-dimethoxy-N-methylpropan-2-amine;ethane
CID 171819113
1-methoxy-N,7-dimethyloctan-2-amine
CID 83158137
methyl 2-methyl-3-[methyl(3-methylbutan-2-yl)amino]propanoate
CID 43570291
1,3-bis(2-methoxyethoxy)-N-methylpropan-2-amine
CID 176738271
1-methoxy-N,4-dimethylpentan-2-amine
CID 13140129
1-(1-methoxypropan-2-yloxy)-3-[methyl(3-methylbutan-2-yl)amino]propan-2-ol
CID 106991752
1-methoxy-N,4,5,5-tetramethylhexan-2-amine
CID 105008981
1-N-(cyclobutylmethyl)-3-methoxy-1-N,2-N-dimethylpropane-1,2-diamine
CID 107505670
3-methoxy-2-N-methyl-1-N-pentyl-1-N-propan-2-ylpropane-1,2-diamine
CID 107505554

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-N,2-N-dimethyl-1-N-(3-methylbutan-2-yl)propane-1,2-diamine?
The IUPAC name of 3-methoxy-1-N,2-N-dimethyl-1-N-(3-methylbutan-2-yl)propane-1,2-diamine (CID 107505408) is 3-methoxy-1-N,2-N-dimethyl-1-N-(3-methylbutan-2-yl)propane-1,2-diamine.
What is the SMILES notation for 3-methoxy-1-N,2-N-dimethyl-1-N-(3-methylbutan-2-yl)propane-1,2-diamine?
The canonical SMILES for 3-methoxy-1-N,2-N-dimethyl-1-N-(3-methylbutan-2-yl)propane-1,2-diamine is CNC(COC)CN(C)C(C)C(C)C.
What is the InChIKey of 3-methoxy-1-N,2-N-dimethyl-1-N-(3-methylbutan-2-yl)propane-1,2-diamine?
The InChIKey is MKWZMQGAEWTZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O/c1-9(2)10(3)13(5)7-11(12-4)8-14-6/h9-12H,7-8H2,1-6H3.
What are the key properties of 3-methoxy-1-N,2-N-dimethyl-1-N-(3-methylbutan-2-yl)propane-1,2-diamine?
3-methoxy-1-N,2-N-dimethyl-1-N-(3-methylbutan-2-yl)propane-1,2-diamine has a molecular weight of 202.34 g/mol, XLogP of 1.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-N,2-N-dimethyl-1-N-(3-methylbutan-2-yl)propane-1,2-diamine is sourced from PubChem (CID 107505408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).