[(6S,7S)-1-oxa-8-azaspiro[5.5]undecan-7-yl]methanamine

C10H20N2O — CID 98041359

IUPAC[(6S,7S)-1-oxa-8-azaspiro[5.5]undecan-7-yl]methanamine
SMILESNC[C@@H]1NCCC[C@@]12CCCCO2
InChIInChI=1S/C10H20N2O/c11-8-9-10(5-3-6-12-9)4-1-2-7-13-10/h9,12H,1-8,11H2/t9-,10-/m0/s1
InChIKeyXFQJDOBOSJEDDU-UWVGGRQHSA-N
MW184.28 g/mol
LogP0.64
Rot. Bonds1

About [(6S,7S)-1-oxa-8-azaspiro[5.5]undecan-7-yl]methanamine

[(6S,7S)-1-oxa-8-azaspiro[5.5]undecan-7-yl]methanamine (PubChem CID 98041359) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is [(6S,7S)-1-oxa-8-azaspiro[5.5]undecan-7-yl]methanamine.

Molecular Properties

Compound Name[(6S,7S)-1-oxa-8-azaspiro[5.5]undecan-7-yl]methanamine
PubChem CID98041359
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name[(6S,7S)-1-oxa-8-azaspiro[5.5]undecan-7-yl]methanamine
SMILESNC[C@@H]1NCCC[C@@]12CCCCO2
InChIInChI=1S/C10H20N2O/c11-8-9-10(5-3-6-12-9)4-1-2-7-13-10/h9,12H,1-8,11H2/t9-,10-/m0/s1
InChIKeyXFQJDOBOSJEDDU-UWVGGRQHSA-N
XLogP0.64
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-oxaspiro[4.5]decan-10-amine
CID 121318257
1,5-dioxa-9-azaspiro[5.5]undecan-10-ylmethanamine
CID 19883310
1-oxaspiro[5.5]undecan-11-ol
CID 69392634
(3S,4S)-3-cyclopropyl-5-oxa-2-azaspiro[3.4]octane
CID 124710254
[(5S)-1-oxaspiro[4.4]nonan-9-yl]hydrazine
CID 170965638
(6S)-1-oxa-8-azaspiro[5.5]undecane
CID 98010276
(4S)-1-oxaspiro[4.5]decan-4-ol
CID 134985958
6-oxa-9-azaspiro[4.5]decane-10-carboxylic acid;hydrochloride
CID 146155863
2-butyl-4-oxaspiro[2.5]octane;methane
CID 155748864
1-oxa-4-azaspiro[4.11]hexadecane
CID 165358700
1-oxa-5-azaspiro[5.5]undecane
CID 14342975
1-ethyl-2-azaspiro[4.11]hexadecane
CID 55191718

Frequently Asked Questions

What is the IUPAC name of [(6S,7S)-1-oxa-8-azaspiro[5.5]undecan-7-yl]methanamine?
The IUPAC name of [(6S,7S)-1-oxa-8-azaspiro[5.5]undecan-7-yl]methanamine (CID 98041359) is [(6S,7S)-1-oxa-8-azaspiro[5.5]undecan-7-yl]methanamine.
What is the SMILES notation for [(6S,7S)-1-oxa-8-azaspiro[5.5]undecan-7-yl]methanamine?
The canonical SMILES for [(6S,7S)-1-oxa-8-azaspiro[5.5]undecan-7-yl]methanamine is NC[C@@H]1NCCC[C@@]12CCCCO2.
What is the InChIKey of [(6S,7S)-1-oxa-8-azaspiro[5.5]undecan-7-yl]methanamine?
The InChIKey is XFQJDOBOSJEDDU-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H20N2O/c11-8-9-10(5-3-6-12-9)4-1-2-7-13-10/h9,12H,1-8,11H2/t9-,10-/m0/s1.
What are the key properties of [(6S,7S)-1-oxa-8-azaspiro[5.5]undecan-7-yl]methanamine?
[(6S,7S)-1-oxa-8-azaspiro[5.5]undecan-7-yl]methanamine has a molecular weight of 184.28 g/mol, XLogP of 0.64, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(6S,7S)-1-oxa-8-azaspiro[5.5]undecan-7-yl]methanamine is sourced from PubChem (CID 98041359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).