1,4-dioxa-7-azaspiro[4.4]nonan-3-ylmethanamine

C7H14N2O2 — CID 57249972

IUPAC1,4-dioxa-7-azaspiro[4.4]nonan-3-ylmethanamine
SMILESNCC1COC2(CCNC2)O1
InChIInChI=1S/C7H14N2O2/c8-3-6-4-10-7(11-6)1-2-9-5-7/h6,9H,1-5,8H2
InChIKeyGXKNEZHSYCYFDK-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.95
Rot. Bonds1

About 1,4-dioxa-7-azaspiro[4.4]nonan-3-ylmethanamine

1,4-dioxa-7-azaspiro[4.4]nonan-3-ylmethanamine (PubChem CID 57249972) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 1,4-dioxa-7-azaspiro[4.4]nonan-3-ylmethanamine.

Molecular Properties

Compound Name1,4-dioxa-7-azaspiro[4.4]nonan-3-ylmethanamine
PubChem CID57249972
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name1,4-dioxa-7-azaspiro[4.4]nonan-3-ylmethanamine
SMILESNCC1COC2(CCNC2)O1
InChIInChI=1S/C7H14N2O2/c8-3-6-4-10-7(11-6)1-2-9-5-7/h6,9H,1-5,8H2
InChIKeyGXKNEZHSYCYFDK-UHFFFAOYSA-N
XLogP-0.95
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1,4-dioxa-7-azaspiro[4.4]nonan-3-ylmethanamine 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 1,4-dioxa-7-azaspiro[4.4]nonan-3-ylmethanamine?
The IUPAC name of 1,4-dioxa-7-azaspiro[4.4]nonan-3-ylmethanamine (CID 57249972) is 1,4-dioxa-7-azaspiro[4.4]nonan-3-ylmethanamine.
What is the SMILES notation for 1,4-dioxa-7-azaspiro[4.4]nonan-3-ylmethanamine?
The canonical SMILES for 1,4-dioxa-7-azaspiro[4.4]nonan-3-ylmethanamine is NCC1COC2(CCNC2)O1.
What is the InChIKey of 1,4-dioxa-7-azaspiro[4.4]nonan-3-ylmethanamine?
The InChIKey is GXKNEZHSYCYFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c8-3-6-4-10-7(11-6)1-2-9-5-7/h6,9H,1-5,8H2.
What are the key properties of 1,4-dioxa-7-azaspiro[4.4]nonan-3-ylmethanamine?
1,4-dioxa-7-azaspiro[4.4]nonan-3-ylmethanamine has a molecular weight of 158.20 g/mol, XLogP of -0.95, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxa-7-azaspiro[4.4]nonan-3-ylmethanamine is sourced from PubChem (CID 57249972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).