1-N-methoxy-1-N,2-N-dimethylpropane-1,2-diamine

C6H16N2O — CID 114396633

IUPAC1-N-methoxy-1-N,2-N-dimethylpropane-1,2-diamine
SMILESCNC(C)CN(C)OC
InChIInChI=1S/C6H16N2O/c1-6(7-2)5-8(3)9-4/h6-7H,5H2,1-4H3
InChIKeyJCRNFLSNBWTNDN-UHFFFAOYSA-N
MW132.21 g/mol
LogP0.09
Rot. Bonds4

About 1-N-methoxy-1-N,2-N-dimethylpropane-1,2-diamine

1-N-methoxy-1-N,2-N-dimethylpropane-1,2-diamine (PubChem CID 114396633) has the molecular formula C6H16N2O and a molecular weight of 132.21 g/mol. Its IUPAC name is 1-N-methoxy-1-N,2-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-methoxy-1-N,2-N-dimethylpropane-1,2-diamine
PubChem CID114396633
Molecular FormulaC6H16N2O
Molecular Weight132.21 g/mol
Exact Mass132.13
IUPAC Name1-N-methoxy-1-N,2-N-dimethylpropane-1,2-diamine
SMILESCNC(C)CN(C)OC
InChIInChI=1S/C6H16N2O/c1-6(7-2)5-8(3)9-4/h6-7H,5H2,1-4H3
InChIKeyJCRNFLSNBWTNDN-UHFFFAOYSA-N
XLogP0.09
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.21
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-[(2S)-2-(methylamino)propyl]acetamide
CID 58006956
2,3,3,3-tetrafluoro-N-methoxy-N-methylpropan-1-amine
CID 131206798
1-(2,2-dimethylhydrazinyl)-N-methylpropan-2-amine
CID 123856605
N-methoxy-N,3-dimethylbutane-1-sulfonamide
CID 64591368
methane;(2S)-N-methoxy-N-methyl-2-(methylamino)propanamide;(2R)-N-methoxy-N-methyl-2-(methylamino)propanamide
CID 158882203
1-N-(3-methoxypropyl)-1-N,3-N-dimethylbutane-1,3-diamine
CID 62984826
1-N,2-N-dimethyl-1-N-(2-phenylethyl)propane-1,2-diamine
CID 20979710
1-N-[1-(4-chlorophenyl)ethyl]-1-N,2-N-dimethylpropane-1,2-diamine
CID 62979943
N-methoxy-N-methyl-2-naphthalen-1-ylpropan-1-amine
CID 56988460
ethane;sulfane;1-N,2-N,3,3-tetramethyl-1-N-[methyl(propan-2-yl)amino]sulfanyloxybutane-1,2-diamine
CID 143105512
2-(2-methoxyethoxyamino)-N,N-dimethylpropanamide
CID 82722296
3-methoxy-1-N,2-N-dimethyl-1-N-(3-methylbutan-2-yl)propane-1,2-diamine
CID 107505408

Frequently Asked Questions

What is the IUPAC name of 1-N-methoxy-1-N,2-N-dimethylpropane-1,2-diamine?
The IUPAC name of 1-N-methoxy-1-N,2-N-dimethylpropane-1,2-diamine (CID 114396633) is 1-N-methoxy-1-N,2-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-methoxy-1-N,2-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-methoxy-1-N,2-N-dimethylpropane-1,2-diamine is CNC(C)CN(C)OC.
What is the InChIKey of 1-N-methoxy-1-N,2-N-dimethylpropane-1,2-diamine?
The InChIKey is JCRNFLSNBWTNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O/c1-6(7-2)5-8(3)9-4/h6-7H,5H2,1-4H3.
What are the key properties of 1-N-methoxy-1-N,2-N-dimethylpropane-1,2-diamine?
1-N-methoxy-1-N,2-N-dimethylpropane-1,2-diamine has a molecular weight of 132.21 g/mol, XLogP of 0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methoxy-1-N,2-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 114396633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).