2,2-diethoxy-N-(oxolan-3-ylmethyl)ethanamine

C11H23NO3 — CID 79548553

IUPAC2,2-diethoxy-N-(oxolan-3-ylmethyl)ethanamine
SMILESCCOC(CNCC1CCOC1)OCC
InChIInChI=1S/C11H23NO3/c1-3-14-11(15-4-2)8-12-7-10-5-6-13-9-10/h10-12H,3-9H2,1-2H3
InChIKeyAXPQXOSKNMVUBI-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.01
Rot. Bonds8

About 2,2-diethoxy-N-(oxolan-3-ylmethyl)ethanamine

2,2-diethoxy-N-(oxolan-3-ylmethyl)ethanamine (PubChem CID 79548553) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 2,2-diethoxy-N-(oxolan-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2,2-diethoxy-N-(oxolan-3-ylmethyl)ethanamine
PubChem CID79548553
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name2,2-diethoxy-N-(oxolan-3-ylmethyl)ethanamine
SMILESCCOC(CNCC1CCOC1)OCC
InChIInChI=1S/C11H23NO3/c1-3-14-11(15-4-2)8-12-7-10-5-6-13-9-10/h10-12H,3-9H2,1-2H3
InChIKeyAXPQXOSKNMVUBI-UHFFFAOYSA-N
XLogP1.01
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
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

2,2-dimethoxy-N-(oxolan-3-ylmethyl)ethanamine
CID 60815560
2-methyl-N-(oxolan-3-ylmethyl)butan-1-amine
CID 60919551
2-chloro-N-(oxolan-3-ylmethyl)propan-1-amine
CID 65024238
3,3-dimethyl-1-(oxolan-3-ylmethylamino)butan-2-ol
CID 115887516
3-ethyl-2-N,2-N-dimethyl-1-N-(oxolan-3-ylmethyl)pentane-1,2-diamine
CID 43208014
2-N,2-N,3-trimethyl-1-N-(oxolan-3-ylmethyl)butane-1,2-diamine
CID 43205527
2-methoxy-3,3-dimethyl-N-(oxolan-3-ylmethyl)butan-1-amine
CID 115887779
N-(oxolan-3-ylmethyl)propan-1-amine
CID 22355248
2-methyl-3-methylsulfanyl-N-(oxolan-3-ylmethyl)propan-1-amine
CID 63982996
4-methyl-5-(oxolan-3-ylmethylamino)pentan-2-ol
CID 115887655
methyl 2-bromo-3-(oxolan-3-ylmethylamino)propanoate
CID 103242537
2-ethoxy-2-methyl-N-(oxolan-3-ylmethyl)propan-1-amine
CID 114941316

Frequently Asked Questions

What is the IUPAC name of 2,2-diethoxy-N-(oxolan-3-ylmethyl)ethanamine?
The IUPAC name of 2,2-diethoxy-N-(oxolan-3-ylmethyl)ethanamine (CID 79548553) is 2,2-diethoxy-N-(oxolan-3-ylmethyl)ethanamine.
What is the SMILES notation for 2,2-diethoxy-N-(oxolan-3-ylmethyl)ethanamine?
The canonical SMILES for 2,2-diethoxy-N-(oxolan-3-ylmethyl)ethanamine is CCOC(CNCC1CCOC1)OCC.
What is the InChIKey of 2,2-diethoxy-N-(oxolan-3-ylmethyl)ethanamine?
The InChIKey is AXPQXOSKNMVUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-3-14-11(15-4-2)8-12-7-10-5-6-13-9-10/h10-12H,3-9H2,1-2H3.
What are the key properties of 2,2-diethoxy-N-(oxolan-3-ylmethyl)ethanamine?
2,2-diethoxy-N-(oxolan-3-ylmethyl)ethanamine has a molecular weight of 217.31 g/mol, XLogP of 1.01, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethoxy-N-(oxolan-3-ylmethyl)ethanamine is sourced from PubChem (CID 79548553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).