1-(dimethylamino)-3-(ethoxyamino)propan-2-ol

C7H18N2O2 — CID 64974910

IUPAC1-(dimethylamino)-3-(ethoxyamino)propan-2-ol
SMILESCCONCC(O)CN(C)C
InChIInChI=1S/C7H18N2O2/c1-4-11-8-5-7(10)6-9(2)3/h7-8,10H,4-6H2,1-3H3
InChIKeyRKIUDNRBVLNVRY-UHFFFAOYSA-N
MW162.23 g/mol
LogP-0.55
Rot. Bonds6

About 1-(dimethylamino)-3-(ethoxyamino)propan-2-ol

1-(dimethylamino)-3-(ethoxyamino)propan-2-ol (PubChem CID 64974910) has the molecular formula C7H18N2O2 and a molecular weight of 162.23 g/mol. Its IUPAC name is 1-(dimethylamino)-3-(ethoxyamino)propan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-3-(ethoxyamino)propan-2-ol
PubChem CID64974910
Molecular FormulaC7H18N2O2
Molecular Weight162.23 g/mol
Exact Mass162.14
IUPAC Name1-(dimethylamino)-3-(ethoxyamino)propan-2-ol
SMILESCCONCC(O)CN(C)C
InChIInChI=1S/C7H18N2O2/c1-4-11-8-5-7(10)6-9(2)3/h7-8,10H,4-6H2,1-3H3
InChIKeyRKIUDNRBVLNVRY-UHFFFAOYSA-N
XLogP-0.55
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(dimethylamino)-3-(methylamino)propan-2-ol
CID 12700841
1-[[3-(dimethylamino)-2-hydroxypropyl]amino]-2-methoxypropan-1-ol
CID 90250561
1-(butylamino)-3-(dimethylamino)propan-2-ol
CID 60897874
1-(ethoxyamino)-3-(4-methylpentoxy)propan-2-ol
CID 60702220
1-(ethoxyamino)-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 60702644
2-[[3-(dimethylamino)-2-hydroxypropyl]amino]-N,N-dimethylacetamide
CID 60902161
1-(dimethylamino)-3-(hexan-3-ylamino)propan-2-ol
CID 62118939
N-[(2R)-3-(dimethylamino)-2-hydroxypropyl]-2-methoxyacetamide
CID 90248628
ethyl 3-(ethoxyamino)-2-methylpropanoate
CID 64974924
(2S)-1-(propoxyamino)butan-2-ol
CID 131167807
bis(1-chloro-3-(dimethylamino)propan-2-ol);propane;dihydrochloride
CID 173321209
2-[[3-(dimethylamino)-2-hydroxypropyl]amino]-N-ethylacetamide
CID 60910441

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-(ethoxyamino)propan-2-ol?
The IUPAC name of 1-(dimethylamino)-3-(ethoxyamino)propan-2-ol (CID 64974910) is 1-(dimethylamino)-3-(ethoxyamino)propan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-3-(ethoxyamino)propan-2-ol?
The canonical SMILES for 1-(dimethylamino)-3-(ethoxyamino)propan-2-ol is CCONCC(O)CN(C)C.
What is the InChIKey of 1-(dimethylamino)-3-(ethoxyamino)propan-2-ol?
The InChIKey is RKIUDNRBVLNVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O2/c1-4-11-8-5-7(10)6-9(2)3/h7-8,10H,4-6H2,1-3H3.
What are the key properties of 1-(dimethylamino)-3-(ethoxyamino)propan-2-ol?
1-(dimethylamino)-3-(ethoxyamino)propan-2-ol has a molecular weight of 162.23 g/mol, XLogP of -0.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-(ethoxyamino)propan-2-ol is sourced from PubChem (CID 64974910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).