3-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-N,N-diethylpropan-1-amine

C13H26N2O2 — CID 99833971

IUPAC3-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-N,N-diethylpropan-1-amine
SMILESCCN(CC)CCCN1CCC2(C1)OCCO2
InChIInChI=1S/C13H26N2O2/c1-3-14(4-2)7-5-8-15-9-6-13(12-15)16-10-11-17-13/h3-12H2,1-2H3
InChIKeyTUTYWKUAHLKSMY-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.17
Rot. Bonds6

About 3-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-N,N-diethylpropan-1-amine

3-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-N,N-diethylpropan-1-amine (PubChem CID 99833971) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 3-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-N,N-diethylpropan-1-amine.

Molecular Properties

Compound Name3-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-N,N-diethylpropan-1-amine
PubChem CID99833971
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name3-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-N,N-diethylpropan-1-amine
SMILESCCN(CC)CCCN1CCC2(C1)OCCO2
InChIInChI=1S/C13H26N2O2/c1-3-14(4-2)7-5-8-15-9-6-13(12-15)16-10-11-17-13/h3-12H2,1-2H3
InChIKeyTUTYWKUAHLKSMY-UHFFFAOYSA-N
XLogP1.17
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-N,N-diethylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-N,N-diethylpropan-1-amine?
The IUPAC name of 3-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-N,N-diethylpropan-1-amine (CID 99833971) is 3-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-N,N-diethylpropan-1-amine.
What is the SMILES notation for 3-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-N,N-diethylpropan-1-amine?
The canonical SMILES for 3-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-N,N-diethylpropan-1-amine is CCN(CC)CCCN1CCC2(C1)OCCO2.
What is the InChIKey of 3-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-N,N-diethylpropan-1-amine?
The InChIKey is TUTYWKUAHLKSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-3-14(4-2)7-5-8-15-9-6-13(12-15)16-10-11-17-13/h3-12H2,1-2H3.
What are the key properties of 3-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-N,N-diethylpropan-1-amine?
3-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-N,N-diethylpropan-1-amine has a molecular weight of 242.36 g/mol, XLogP of 1.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-N,N-diethylpropan-1-amine is sourced from PubChem (CID 99833971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).