1,1-dimethoxy-N,N-bis(methylamino)ethanamine

C6H17N3O2 — CID 150549786

IUPAC1,1-dimethoxy-N,N-bis(methylamino)ethanamine
SMILESCNN(NC)C(C)(OC)OC
InChIInChI=1S/C6H17N3O2/c1-6(10-4,11-5)9(7-2)8-3/h7-8H,1-5H3
InChIKeyIHQAIWPLPGBZNB-UHFFFAOYSA-N
MW163.22 g/mol
LogP-0.48
Rot. Bonds5

About 1,1-dimethoxy-N,N-bis(methylamino)ethanamine

1,1-dimethoxy-N,N-bis(methylamino)ethanamine (PubChem CID 150549786) has the molecular formula C6H17N3O2 and a molecular weight of 163.22 g/mol. Its IUPAC name is 1,1-dimethoxy-N,N-bis(methylamino)ethanamine.

Molecular Properties

Compound Name1,1-dimethoxy-N,N-bis(methylamino)ethanamine
PubChem CID150549786
Molecular FormulaC6H17N3O2
Molecular Weight163.22 g/mol
Exact Mass163.13
IUPAC Name1,1-dimethoxy-N,N-bis(methylamino)ethanamine
SMILESCNN(NC)C(C)(OC)OC
InChIInChI=1S/C6H17N3O2/c1-6(10-4,11-5)9(7-2)8-3/h7-8H,1-5H3
InChIKeyIHQAIWPLPGBZNB-UHFFFAOYSA-N
XLogP-0.48
TPSA45.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(1,1-dimethoxyethyl)-N-methylformamide
CID 88676160
1,1-dimethoxy-N,N'-dimethylmethanediamine
CID 55299872
2-methoxy-2-methylpropane;hydrate
CID 23212559
hydron;2-methoxy-2-methylpropane
CID 174107716
1-tert-butyl-3,5-bis(2-methoxypropan-2-yl)benzene
CID 141239687
methyl 2-methyl-2-((111C)methylamino)propanoate
CID 10534687
2,3-difluoro-2,3-dimethoxybutane
CID 174333179
hydrazine;2-methoxy-2-methylpropane
CID 158568740
1,1,1-trimethoxyethane;hydrochloride
CID 162313346
2,2-dimethoxypropane;methane
CID 162063722
2-methoxy-N-methyl-N-[methyl(oxido)amino]oxypropan-2-amine
CID 163495645
1,1-difluoro-1-methoxy-N-methylmethanamine
CID 154364961

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethoxy-N,N-bis(methylamino)ethanamine?
The IUPAC name of 1,1-dimethoxy-N,N-bis(methylamino)ethanamine (CID 150549786) is 1,1-dimethoxy-N,N-bis(methylamino)ethanamine.
What is the SMILES notation for 1,1-dimethoxy-N,N-bis(methylamino)ethanamine?
The canonical SMILES for 1,1-dimethoxy-N,N-bis(methylamino)ethanamine is CNN(NC)C(C)(OC)OC.
What is the InChIKey of 1,1-dimethoxy-N,N-bis(methylamino)ethanamine?
The InChIKey is IHQAIWPLPGBZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H17N3O2/c1-6(10-4,11-5)9(7-2)8-3/h7-8H,1-5H3.
What are the key properties of 1,1-dimethoxy-N,N-bis(methylamino)ethanamine?
1,1-dimethoxy-N,N-bis(methylamino)ethanamine has a molecular weight of 163.22 g/mol, XLogP of -0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxy-N,N-bis(methylamino)ethanamine is sourced from PubChem (CID 150549786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).