1,1-diethoxypropan-1-amine

C7H17NO2 — CID 22735038

IUPAC1,1-diethoxypropan-1-amine
SMILESCCOC(N)(CC)OCC
InChIInChI=1S/C7H17NO2/c1-4-7(8,9-5-2)10-6-3/h4-6,8H2,1-3H3
InChIKeyCBWAFRUXUKASAG-UHFFFAOYSA-N
MW147.22 g/mol
LogP1.08
Rot. Bonds5

About 1,1-diethoxypropan-1-amine

1,1-diethoxypropan-1-amine (PubChem CID 22735038) has the molecular formula C7H17NO2 and a molecular weight of 147.22 g/mol. Its IUPAC name is 1,1-diethoxypropan-1-amine.

Molecular Properties

Compound Name1,1-diethoxypropan-1-amine
PubChem CID22735038
Molecular FormulaC7H17NO2
Molecular Weight147.22 g/mol
Exact Mass147.13
IUPAC Name1,1-diethoxypropan-1-amine
SMILESCCOC(N)(CC)OCC
InChIInChI=1S/C7H17NO2/c1-4-7(8,9-5-2)10-6-3/h4-6,8H2,1-3H3
InChIKeyCBWAFRUXUKASAG-UHFFFAOYSA-N
XLogP1.08
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxypentan-3-amine
CID 87385378
1,1,3-triethoxy-3-silylpropan-1-amine
CID 152765619
1,1-diethoxy-2,2-dimethylpropan-1-amine
CID 174896219
2-ethoxy-1,1,1,3,3,3-hexafluoropropan-2-amine
CID 165349343
2-ethoxy-2-ethylbutan-1-amine
CID 65051068
3-ethoxy-3-ethylpentan-2-amine
CID 116759599
2-ethoxy-2-methylpropane
CID 12512
2-ethoxy-2-(113C)methyl(1,3-13C2)propane
CID 71308925
2-(1,2-13C2)ethoxy-2-(113C)methyl(1,2,3-13C3)propane
CID 71309473
acetic acid;triethoxymethanamine
CID 175078602
1,2,2-triethoxy-1-silylpropan-1-amine
CID 173454722
5-ethoxy-3-ethyl-2,3,5-trimethylheptan-2-amine
CID 91534836

Frequently Asked Questions

What is the IUPAC name of 1,1-diethoxypropan-1-amine?
The IUPAC name of 1,1-diethoxypropan-1-amine (CID 22735038) is 1,1-diethoxypropan-1-amine.
What is the SMILES notation for 1,1-diethoxypropan-1-amine?
The canonical SMILES for 1,1-diethoxypropan-1-amine is CCOC(N)(CC)OCC.
What is the InChIKey of 1,1-diethoxypropan-1-amine?
The InChIKey is CBWAFRUXUKASAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2/c1-4-7(8,9-5-2)10-6-3/h4-6,8H2,1-3H3.
What are the key properties of 1,1-diethoxypropan-1-amine?
1,1-diethoxypropan-1-amine has a molecular weight of 147.22 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethoxypropan-1-amine is sourced from PubChem (CID 22735038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).