2-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetonitrile

C13H22N2O — CID 102848083

IUPAC2-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetonitrile
SMILESCN(CC#N)CC1CCC2(CCCCC2)O1
InChIInChI=1S/C13H22N2O/c1-15(10-9-14)11-12-5-8-13(16-12)6-3-2-4-7-13/h12H,2-8,10-11H2,1H3
InChIKeyOSRPUAUMOIRQSF-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.32
Rot. Bonds3

About 2-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetonitrile

2-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetonitrile (PubChem CID 102848083) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetonitrile.

Molecular Properties

Compound Name2-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetonitrile
PubChem CID102848083
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetonitrile
SMILESCN(CC#N)CC1CCC2(CCCCC2)O1
InChIInChI=1S/C13H22N2O/c1-15(10-9-14)11-12-5-8-13(16-12)6-3-2-4-7-13/h12H,2-8,10-11H2,1H3
InChIKeyOSRPUAUMOIRQSF-UHFFFAOYSA-N
XLogP2.32
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

N-methyl-4-(oxan-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]butan-1-amine
CID 100703854
9-Methyl-1-oxa-9-azaspiro[4.5]decane
CID 67987651
9-Ethyl-1-oxa-9-azaspiro[4.5]decane
CID 123211534
Ethane;9-methyl-1-oxa-9-azaspiro[4.5]decane
CID 145687411
Ethane;9-ethyl-1-oxa-9-azaspiro[4.5]decane
CID 153357238
10-Methyl-1-oxa-10-azaspiro[4.6]undecane
CID 156482409
(5S)-9-methyl-1-oxa-9-azaspiro[4.5]decane
CID 167468674
Ethane;9-methyl-1-oxa-9-azaspiro[4.5]decane
CID 168251878
1-Methyl-6-propan-2-yloxy-1-azaspiro[4.5]decane
CID 177126304
1-[[Methyl(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-ol
CID 65208804
1-[[Ethyl(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-ol
CID 65208916
2-[(4-Methylcyclohexyl)-(oxolan-2-ylmethyl)amino]acetonitrile
CID 71988924

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetonitrile?
The IUPAC name of 2-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetonitrile (CID 102848083) is 2-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetonitrile.
What is the SMILES notation for 2-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetonitrile?
The canonical SMILES for 2-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetonitrile is CN(CC#N)CC1CCC2(CCCCC2)O1.
What is the InChIKey of 2-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetonitrile?
The InChIKey is OSRPUAUMOIRQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-15(10-9-14)11-12-5-8-13(16-12)6-3-2-4-7-13/h12H,2-8,10-11H2,1H3.
What are the key properties of 2-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetonitrile?
2-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetonitrile has a molecular weight of 222.33 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetonitrile is sourced from PubChem (CID 102848083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).