3,3-diethoxy-N,N-diethylpropan-1-amine

C11H25NO2 — CID 15749029

IUPAC3,3-diethoxy-N,N-diethylpropan-1-amine
SMILESCCOC(CCN(CC)CC)OCC
InChIInChI=1S/C11H25NO2/c1-5-12(6-2)10-9-11(13-7-3)14-8-4/h11H,5-10H2,1-4H3
InChIKeyIBQQRWHQSLKUHC-UHFFFAOYSA-N
MW203.33 g/mol
LogP2.12
Rot. Bonds9

About 3,3-diethoxy-N,N-diethylpropan-1-amine

3,3-diethoxy-N,N-diethylpropan-1-amine (PubChem CID 15749029) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is 3,3-diethoxy-N,N-diethylpropan-1-amine.

Molecular Properties

Compound Name3,3-diethoxy-N,N-diethylpropan-1-amine
PubChem CID15749029
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Name3,3-diethoxy-N,N-diethylpropan-1-amine
SMILESCCOC(CCN(CC)CC)OCC
InChIInChI=1S/C11H25NO2/c1-5-12(6-2)10-9-11(13-7-3)14-8-4/h11H,5-10H2,1-4H3
InChIKeyIBQQRWHQSLKUHC-UHFFFAOYSA-N
XLogP2.12
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 52.12
H-Bond Donors ≤ 50
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-diethoxy-N,N-diethylpropan-1-amine?
The IUPAC name of 3,3-diethoxy-N,N-diethylpropan-1-amine (CID 15749029) is 3,3-diethoxy-N,N-diethylpropan-1-amine.
What is the SMILES notation for 3,3-diethoxy-N,N-diethylpropan-1-amine?
The canonical SMILES for 3,3-diethoxy-N,N-diethylpropan-1-amine is CCOC(CCN(CC)CC)OCC.
What is the InChIKey of 3,3-diethoxy-N,N-diethylpropan-1-amine?
The InChIKey is IBQQRWHQSLKUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2/c1-5-12(6-2)10-9-11(13-7-3)14-8-4/h11H,5-10H2,1-4H3.
What are the key properties of 3,3-diethoxy-N,N-diethylpropan-1-amine?
3,3-diethoxy-N,N-diethylpropan-1-amine has a molecular weight of 203.33 g/mol, XLogP of 2.12, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethoxy-N,N-diethylpropan-1-amine is sourced from PubChem (CID 15749029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).