9-oxa-1-azaspiro[5.5]undecan-4-amine

C9H18N2O — CID 167724278

IUPAC9-oxa-1-azaspiro[5.5]undecan-4-amine
SMILESNC1CCNC2(CCOCC2)C1
InChIInChI=1S/C9H18N2O/c10-8-1-4-11-9(7-8)2-5-12-6-3-9/h8,11H,1-7,10H2
InChIKeyLOFOAAXHSSMWPS-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.25
Rot. Bonds

About 9-oxa-1-azaspiro[5.5]undecan-4-amine

9-oxa-1-azaspiro[5.5]undecan-4-amine (PubChem CID 167724278) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 9-oxa-1-azaspiro[5.5]undecan-4-amine.

Molecular Properties

Compound Name9-oxa-1-azaspiro[5.5]undecan-4-amine
PubChem CID167724278
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name9-oxa-1-azaspiro[5.5]undecan-4-amine
SMILESNC1CCNC2(CCOCC2)C1
InChIInChI=1S/C9H18N2O/c10-8-1-4-11-9(7-8)2-5-12-6-3-9/h8,11H,1-7,10H2
InChIKeyLOFOAAXHSSMWPS-UHFFFAOYSA-N
XLogP0.25
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-oxa-1-azaspiro[5.5]undecan-4-amine?
The IUPAC name of 9-oxa-1-azaspiro[5.5]undecan-4-amine (CID 167724278) is 9-oxa-1-azaspiro[5.5]undecan-4-amine.
What is the SMILES notation for 9-oxa-1-azaspiro[5.5]undecan-4-amine?
The canonical SMILES for 9-oxa-1-azaspiro[5.5]undecan-4-amine is NC1CCNC2(CCOCC2)C1.
What is the InChIKey of 9-oxa-1-azaspiro[5.5]undecan-4-amine?
The InChIKey is LOFOAAXHSSMWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c10-8-1-4-11-9(7-8)2-5-12-6-3-9/h8,11H,1-7,10H2.
What are the key properties of 9-oxa-1-azaspiro[5.5]undecan-4-amine?
9-oxa-1-azaspiro[5.5]undecan-4-amine has a molecular weight of 170.26 g/mol, XLogP of 0.25, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-oxa-1-azaspiro[5.5]undecan-4-amine is sourced from PubChem (CID 167724278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).