3,3-diethoxypropan-1-amine

C7H17NO2 — CID 521029

IUPAC3,3-diethoxypropan-1-amine
SMILESCCOC(CCN)OCC
InChIInChI=1S/C7H17NO2/c1-3-9-7(5-6-8)10-4-2/h7H,3-6,8H2,1-2H3
InChIKeyPXXMSHBZYAOHBD-UHFFFAOYSA-N
MW147.22 g/mol
LogP0.73
Rot. Bonds6

About 3,3-diethoxypropan-1-amine

3,3-diethoxypropan-1-amine (PubChem CID 521029) has the molecular formula C7H17NO2 and a molecular weight of 147.22 g/mol. Its IUPAC name is 3,3-diethoxypropan-1-amine.

Molecular Properties

Compound Name3,3-diethoxypropan-1-amine
PubChem CID521029
Molecular FormulaC7H17NO2
Molecular Weight147.22 g/mol
Exact Mass147.13
IUPAC Name3,3-diethoxypropan-1-amine
SMILESCCOC(CCN)OCC
InChIInChI=1S/C7H17NO2/c1-3-9-7(5-6-8)10-4-2/h7H,3-6,8H2,1-2H3
InChIKeyPXXMSHBZYAOHBD-UHFFFAOYSA-N
XLogP0.73
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 50.73
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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Frequently Asked Questions

What is the IUPAC name of 3,3-diethoxypropan-1-amine?
The IUPAC name of 3,3-diethoxypropan-1-amine (CID 521029) is 3,3-diethoxypropan-1-amine.
What is the SMILES notation for 3,3-diethoxypropan-1-amine?
The canonical SMILES for 3,3-diethoxypropan-1-amine is CCOC(CCN)OCC.
What is the InChIKey of 3,3-diethoxypropan-1-amine?
The InChIKey is PXXMSHBZYAOHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2/c1-3-9-7(5-6-8)10-4-2/h7H,3-6,8H2,1-2H3.
What are the key properties of 3,3-diethoxypropan-1-amine?
3,3-diethoxypropan-1-amine has a molecular weight of 147.22 g/mol, XLogP of 0.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethoxypropan-1-amine is sourced from PubChem (CID 521029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).