(3R,4S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine

C9H18N2O — CID 118248014

IUPAC(3R,4S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
SMILESC[C@H]1OCC2(CCNCC2)[C@@H]1N
InChIInChI=1S/C9H18N2O/c1-7-8(10)9(6-12-7)2-4-11-5-3-9/h7-8,11H,2-6,10H2,1H3/t7-,8-/m1/s1
InChIKeyQORIMRSQLRAMSF-HTQZYQBOSA-N
MW170.26 g/mol
LogP0.10
Rot. Bonds

About (3R,4S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine

(3R,4S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine (PubChem CID 118248014) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is (3R,4S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine.

Molecular Properties

Compound Name(3R,4S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
PubChem CID118248014
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name(3R,4S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
SMILESC[C@H]1OCC2(CCNCC2)[C@@H]1N
InChIInChI=1S/C9H18N2O/c1-7-8(10)9(6-12-7)2-4-11-5-3-9/h7-8,11H,2-6,10H2,1H3/t7-,8-/m1/s1
InChIKeyQORIMRSQLRAMSF-HTQZYQBOSA-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 (3R,4S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine?
The IUPAC name of (3R,4S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine (CID 118248014) is (3R,4S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine.
What is the SMILES notation for (3R,4S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine?
The canonical SMILES for (3R,4S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine is C[C@H]1OCC2(CCNCC2)[C@@H]1N.
What is the InChIKey of (3R,4S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine?
The InChIKey is QORIMRSQLRAMSF-HTQZYQBOSA-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/t7-,8-/m1/s1.
What are the key properties of (3R,4S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine?
(3R,4S)-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 (3R,4S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine is sourced from PubChem (CID 118248014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).