1,1,3-triethoxy-N-methylpropan-2-amine

C10H23NO3 — CID 79570224

IUPAC1,1,3-triethoxy-N-methylpropan-2-amine
SMILESCCOCC(NC)C(OCC)OCC
InChIInChI=1S/C10H23NO3/c1-5-12-8-9(11-4)10(13-6-2)14-7-3/h9-11H,5-8H2,1-4H3
InChIKeyLQPZQLLSSULMTL-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.01
Rot. Bonds9

About 1,1,3-triethoxy-N-methylpropan-2-amine

1,1,3-triethoxy-N-methylpropan-2-amine (PubChem CID 79570224) has the molecular formula C10H23NO3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 1,1,3-triethoxy-N-methylpropan-2-amine.

Molecular Properties

Compound Name1,1,3-triethoxy-N-methylpropan-2-amine
PubChem CID79570224
Molecular FormulaC10H23NO3
Molecular Weight205.30 g/mol
Exact Mass205.17
IUPAC Name1,1,3-triethoxy-N-methylpropan-2-amine
SMILESCCOCC(NC)C(OCC)OCC
InChIInChI=1S/C10H23NO3/c1-5-12-8-9(11-4)10(13-6-2)14-7-3/h9-11H,5-8H2,1-4H3
InChIKeyLQPZQLLSSULMTL-UHFFFAOYSA-N
XLogP1.01
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopropyl-1,3-diethoxy-N-methylpropan-2-amine
CID 116723302
1,1-diethoxy-5-methoxy-N-methylpentan-2-amine
CID 114856424
1,1-diethoxy-N-methylundecan-2-amine
CID 79495971
3-(3,5-difluorophenyl)-1,1-diethoxy-N-methylpropan-2-amine
CID 105406605
1-cyclopropyl-3-ethoxy-1-methoxy-N-methylpropan-2-amine
CID 116722158
(2R)-1,2-diethoxypropane
CID 92973991
1,1-diethoxy-N,3-dimethylbutan-2-amine
CID 12506255
1,3-diethoxy-N-propylpentan-2-amine
CID 116717107
1,4-dimethoxy-2-N,3-N-dimethylbutane-2,3-diamine
CID 163765545
(1-ethoxy-3-methylbutan-2-yl)hydrazine
CID 105199529
1-ethoxy-3-methyl-N-propan-2-ylbutan-2-amine
CID 103845943
2-ethoxy-N-methylhexan-3-amine
CID 64534795

Frequently Asked Questions

What is the IUPAC name of 1,1,3-triethoxy-N-methylpropan-2-amine?
The IUPAC name of 1,1,3-triethoxy-N-methylpropan-2-amine (CID 79570224) is 1,1,3-triethoxy-N-methylpropan-2-amine.
What is the SMILES notation for 1,1,3-triethoxy-N-methylpropan-2-amine?
The canonical SMILES for 1,1,3-triethoxy-N-methylpropan-2-amine is CCOCC(NC)C(OCC)OCC.
What is the InChIKey of 1,1,3-triethoxy-N-methylpropan-2-amine?
The InChIKey is LQPZQLLSSULMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3/c1-5-12-8-9(11-4)10(13-6-2)14-7-3/h9-11H,5-8H2,1-4H3.
What are the key properties of 1,1,3-triethoxy-N-methylpropan-2-amine?
1,1,3-triethoxy-N-methylpropan-2-amine has a molecular weight of 205.30 g/mol, XLogP of 1.01, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3-triethoxy-N-methylpropan-2-amine is sourced from PubChem (CID 79570224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).