3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine

C9H18N2O — CID 123875544

IUPAC3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
SMILESCC1OCC2(CCNCC2)C1N
InChIInChI=1S/C9H18N2O/c1-7-8(10)9(6-12-7)2-4-11-5-3-9/h7-8,11H,2-6,10H2,1H3
InChIKeyQORIMRSQLRAMSF-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.10
Rot. Bonds

About 3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine

3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine (PubChem CID 123875544) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine.

Molecular Properties

Compound Name3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
PubChem CID123875544
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
SMILESCC1OCC2(CCNCC2)C1N
InChIInChI=1S/C9H18N2O/c1-7-8(10)9(6-12-7)2-4-11-5-3-9/h7-8,11H,2-6,10H2,1H3
InChIKeyQORIMRSQLRAMSF-UHFFFAOYSA-N
XLogP0.10
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 ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine?
The IUPAC name of 3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine (CID 123875544) is 3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine.
What is the SMILES notation for 3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine?
The canonical SMILES for 3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine is CC1OCC2(CCNCC2)C1N.
What is the InChIKey of 3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine?
The InChIKey is QORIMRSQLRAMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-7-8(10)9(6-12-7)2-4-11-5-3-9/h7-8,11H,2-6,10H2,1H3.
What are the key properties of 3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine?
3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine has a molecular weight of 170.26 g/mol, XLogP of 0.10, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 123875544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).