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

C9H18N2O — CID 83816210

IUPAC2-methyl-8-oxa-2-azaspiro[4.5]decan-4-amine
SMILESCN1CC(N)C2(CCOCC2)C1
InChIInChI=1S/C9H18N2O/c1-11-6-8(10)9(7-11)2-4-12-5-3-9/h8H,2-7,10H2,1H3
InChIKeyQOHNGGAYKJFYPL-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.06
Rot. Bonds

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

2-methyl-8-oxa-2-azaspiro[4.5]decan-4-amine (PubChem CID 83816210) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 2-methyl-8-oxa-2-azaspiro[4.5]decan-4-amine.

Molecular Properties

Compound Name2-methyl-8-oxa-2-azaspiro[4.5]decan-4-amine
PubChem CID83816210
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name2-methyl-8-oxa-2-azaspiro[4.5]decan-4-amine
SMILESCN1CC(N)C2(CCOCC2)C1
InChIInChI=1S/C9H18N2O/c1-11-6-8(10)9(7-11)2-4-12-5-3-9/h8H,2-7,10H2,1H3
InChIKeyQOHNGGAYKJFYPL-UHFFFAOYSA-N
XLogP0.06
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 ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-oxa-2-azaspiro[4.5]decan-4-amine?
The IUPAC name of 2-methyl-8-oxa-2-azaspiro[4.5]decan-4-amine (CID 83816210) is 2-methyl-8-oxa-2-azaspiro[4.5]decan-4-amine.
What is the SMILES notation for 2-methyl-8-oxa-2-azaspiro[4.5]decan-4-amine?
The canonical SMILES for 2-methyl-8-oxa-2-azaspiro[4.5]decan-4-amine is CN1CC(N)C2(CCOCC2)C1.
What is the InChIKey of 2-methyl-8-oxa-2-azaspiro[4.5]decan-4-amine?
The InChIKey is QOHNGGAYKJFYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-11-6-8(10)9(7-11)2-4-12-5-3-9/h8H,2-7,10H2,1H3.
What are the key properties of 2-methyl-8-oxa-2-azaspiro[4.5]decan-4-amine?
2-methyl-8-oxa-2-azaspiro[4.5]decan-4-amine has a molecular weight of 170.26 g/mol, XLogP of 0.06, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-oxa-2-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 83816210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).