1,5-dioxa-9-azaspiro[5.5]undecan-10-ylmethanamine

C9H18N2O2 — CID 19883310

IUPAC1,5-dioxa-9-azaspiro[5.5]undecan-10-ylmethanamine
SMILESNCC1CC2(CCN1)OCCCO2
InChIInChI=1S/C9H18N2O2/c10-7-8-6-9(2-3-11-8)12-4-1-5-13-9/h8,11H,1-7,10H2
InChIKeyBQDZLWBJFXGBQS-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.17
Rot. Bonds1

About 1,5-dioxa-9-azaspiro[5.5]undecan-10-ylmethanamine

1,5-dioxa-9-azaspiro[5.5]undecan-10-ylmethanamine (PubChem CID 19883310) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1,5-dioxa-9-azaspiro[5.5]undecan-10-ylmethanamine.

Molecular Properties

Compound Name1,5-dioxa-9-azaspiro[5.5]undecan-10-ylmethanamine
PubChem CID19883310
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name1,5-dioxa-9-azaspiro[5.5]undecan-10-ylmethanamine
SMILESNCC1CC2(CCN1)OCCCO2
InChIInChI=1S/C9H18N2O2/c10-7-8-6-9(2-3-11-8)12-4-1-5-13-9/h8,11H,1-7,10H2
InChIKeyBQDZLWBJFXGBQS-UHFFFAOYSA-N
XLogP-0.17
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(6S,7S)-1-oxa-8-azaspiro[5.5]undecan-7-yl]methanamine
CID 98041359
[1-(1,4-dioxaspiro[4.5]decan-7-ylmethyl)cyclopropyl]methanamine
CID 130067900
[(2S)-piperidin-2-yl]methanamine;dihydrochloride
CID 134690845
7,10-dioxadispiro[3.1.46.34]tridecan-2-ylmethanamine
CID 130068106
N-methyl-1,5-dioxaspiro[5.5]undecan-10-amine
CID 83852999
[(5S,8R)-1-oxaspiro[4.4]nonan-8-yl]methanamine
CID 99996112
4,9-dioxaspiro[2.6]nonane
CID 68651979
(8R)-1,4-dioxaspiro[4.4]nonan-8-amine
CID 95431886
(5R,9S)-1,6-dioxaspiro[4.5]decan-9-ol
CID 130857690
1,6-dioxaspiro[4.5]decan-9-ol
CID 10975764
N-methyl-N-(piperidin-2-ylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 106622935
cyclobutane-1,1-dicarboxylic acid;platinum(2+);[(2S)-pyrrolidin-2-yl]methanamine
CID 58783103

Frequently Asked Questions

What is the IUPAC name of 1,5-dioxa-9-azaspiro[5.5]undecan-10-ylmethanamine?
The IUPAC name of 1,5-dioxa-9-azaspiro[5.5]undecan-10-ylmethanamine (CID 19883310) is 1,5-dioxa-9-azaspiro[5.5]undecan-10-ylmethanamine.
What is the SMILES notation for 1,5-dioxa-9-azaspiro[5.5]undecan-10-ylmethanamine?
The canonical SMILES for 1,5-dioxa-9-azaspiro[5.5]undecan-10-ylmethanamine is NCC1CC2(CCN1)OCCCO2.
What is the InChIKey of 1,5-dioxa-9-azaspiro[5.5]undecan-10-ylmethanamine?
The InChIKey is BQDZLWBJFXGBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c10-7-8-6-9(2-3-11-8)12-4-1-5-13-9/h8,11H,1-7,10H2.
What are the key properties of 1,5-dioxa-9-azaspiro[5.5]undecan-10-ylmethanamine?
1,5-dioxa-9-azaspiro[5.5]undecan-10-ylmethanamine has a molecular weight of 186.25 g/mol, XLogP of -0.17, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dioxa-9-azaspiro[5.5]undecan-10-ylmethanamine is sourced from PubChem (CID 19883310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).