4,7-dimethyl-1-oxa-7-azaspiro[4.4]nonan-9-amine

C9H18N2O — CID 142528450

IUPAC4,7-dimethyl-1-oxa-7-azaspiro[4.4]nonan-9-amine
SMILESCC1CCOC12CN(C)CC2N
InChIInChI=1S/C9H18N2O/c1-7-3-4-12-9(7)6-11(2)5-8(9)10/h7-8H,3-6,10H2,1-2H3
InChIKeyLSBWFKXLZPREFU-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.05
Rot. Bonds

About 4,7-dimethyl-1-oxa-7-azaspiro[4.4]nonan-9-amine

4,7-dimethyl-1-oxa-7-azaspiro[4.4]nonan-9-amine (PubChem CID 142528450) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 4,7-dimethyl-1-oxa-7-azaspiro[4.4]nonan-9-amine.

Molecular Properties

Compound Name4,7-dimethyl-1-oxa-7-azaspiro[4.4]nonan-9-amine
PubChem CID142528450
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name4,7-dimethyl-1-oxa-7-azaspiro[4.4]nonan-9-amine
SMILESCC1CCOC12CN(C)CC2N
InChIInChI=1S/C9H18N2O/c1-7-3-4-12-9(7)6-11(2)5-8(9)10/h7-8H,3-6,10H2,1-2H3
InChIKeyLSBWFKXLZPREFU-UHFFFAOYSA-N
XLogP0.05
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-1-oxa-7-azaspiro[4.4]nonan-9-amine?
The IUPAC name of 4,7-dimethyl-1-oxa-7-azaspiro[4.4]nonan-9-amine (CID 142528450) is 4,7-dimethyl-1-oxa-7-azaspiro[4.4]nonan-9-amine.
What is the SMILES notation for 4,7-dimethyl-1-oxa-7-azaspiro[4.4]nonan-9-amine?
The canonical SMILES for 4,7-dimethyl-1-oxa-7-azaspiro[4.4]nonan-9-amine is CC1CCOC12CN(C)CC2N.
What is the InChIKey of 4,7-dimethyl-1-oxa-7-azaspiro[4.4]nonan-9-amine?
The InChIKey is LSBWFKXLZPREFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-7-3-4-12-9(7)6-11(2)5-8(9)10/h7-8H,3-6,10H2,1-2H3.
What are the key properties of 4,7-dimethyl-1-oxa-7-azaspiro[4.4]nonan-9-amine?
4,7-dimethyl-1-oxa-7-azaspiro[4.4]nonan-9-amine has a molecular weight of 170.26 g/mol, XLogP of 0.05, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-1-oxa-7-azaspiro[4.4]nonan-9-amine is sourced from PubChem (CID 142528450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).