2-(diethoxyamino)propan-2-ol

C7H17NO3 — CID 174781040

IUPAC2-(diethoxyamino)propan-2-ol
SMILESCCON(OCC)C(C)(C)O
InChIInChI=1S/C7H17NO3/c1-5-10-8(11-6-2)7(3,4)9/h9H,5-6H2,1-4H3
InChIKeyGEHOVESNUFTQPL-UHFFFAOYSA-N
MW163.22 g/mol
LogP0.92
Rot. Bonds5

About 2-(diethoxyamino)propan-2-ol

2-(diethoxyamino)propan-2-ol (PubChem CID 174781040) has the molecular formula C7H17NO3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 2-(diethoxyamino)propan-2-ol.

Molecular Properties

Compound Name2-(diethoxyamino)propan-2-ol
PubChem CID174781040
Molecular FormulaC7H17NO3
Molecular Weight163.22 g/mol
Exact Mass163.12
IUPAC Name2-(diethoxyamino)propan-2-ol
SMILESCCON(OCC)C(C)(C)O
InChIInChI=1S/C7H17NO3/c1-5-10-8(11-6-2)7(3,4)9/h9H,5-6H2,1-4H3
InChIKeyGEHOVESNUFTQPL-UHFFFAOYSA-N
XLogP0.92
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

1-[ethoxy(methyl)amino]-1-phenylethanol
CID 88599607
2-(ethoxyamino)butan-2-ol
CID 57068592
N-ethoxy-N-[(2-methylpropan-2-yl)oxy]ethanamine
CID 87508990
2-ethoxy-3,3-dimethylbutan-2-ol
CID 141378500
2-[diethylamino(2-hydroxypropan-2-yl)amino]propan-2-ol
CID 89188762
N,N,N',N'-tetraethoxyethane-1,2-diamine
CID 86169848
1,1-diethoxyhydrazine
CID 160785529
butane;propane-2,2-diol
CID 142587058
2-(dimethylamino)propan-2-ol
CID 11251968
ethyl N-tert-butyl-N-ethoxycarbamoperoxoate
CID 174911417
2-[ethyl(hydroxymethyl)amino]propan-2-ol
CID 87329716
2-(diethoxyamino)oxy-2,3-dimethylbutane
CID 151795930

Frequently Asked Questions

What is the IUPAC name of 2-(diethoxyamino)propan-2-ol?
The IUPAC name of 2-(diethoxyamino)propan-2-ol (CID 174781040) is 2-(diethoxyamino)propan-2-ol.
What is the SMILES notation for 2-(diethoxyamino)propan-2-ol?
The canonical SMILES for 2-(diethoxyamino)propan-2-ol is CCON(OCC)C(C)(C)O.
What is the InChIKey of 2-(diethoxyamino)propan-2-ol?
The InChIKey is GEHOVESNUFTQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO3/c1-5-10-8(11-6-2)7(3,4)9/h9H,5-6H2,1-4H3.
What are the key properties of 2-(diethoxyamino)propan-2-ol?
2-(diethoxyamino)propan-2-ol has a molecular weight of 163.22 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethoxyamino)propan-2-ol is sourced from PubChem (CID 174781040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).