2-[methyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]acetonitrile

C12H20N2O — CID 102897996

IUPAC2-[methyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]acetonitrile
SMILESCN(CC#N)CC1CCC2(CCCC2)O1
InChIInChI=1S/C12H20N2O/c1-14(9-8-13)10-11-4-7-12(15-11)5-2-3-6-12/h11H,2-7,9-10H2,1H3
InChIKeyMFYYWLFZEJLTCA-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.93
Rot. Bonds3

About 2-[methyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]acetonitrile

2-[methyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]acetonitrile (PubChem CID 102897996) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-[methyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]acetonitrile.

Molecular Properties

Compound Name2-[methyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]acetonitrile
PubChem CID102897996
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name2-[methyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]acetonitrile
SMILESCN(CC#N)CC1CCC2(CCCC2)O1
InChIInChI=1S/C12H20N2O/c1-14(9-8-13)10-11-4-7-12(15-11)5-2-3-6-12/h11H,2-7,9-10H2,1H3
InChIKeyMFYYWLFZEJLTCA-UHFFFAOYSA-N
XLogP1.93
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.93
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

10-Methyl-1-oxa-10-azaspiro[4.6]undecane
CID 156482409
2,7-Dimethyl-1-oxa-7-azaspiro[4.4]nonane;ethane
CID 177994392
2-Ethyl-7-methyl-1-oxa-7-azaspiro[4.4]nonane
CID 177995058
3-[Ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]-2-methylpropanenitrile
CID 102848073
2-[Ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetonitrile
CID 102848075
2-[Methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetonitrile
CID 102848083
2-[Cyclopentyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetonitrile
CID 102848105
3-[2-Methylpropyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propanenitrile
CID 102848106
3-[1-Oxaspiro[4.5]decan-2-ylmethyl(propan-2-yl)amino]propanenitrile
CID 102848113
3-[Ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propanenitrile
CID 102848114
3-[2-Methoxyethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propanenitrile
CID 102848115
2-[1-Oxaspiro[4.5]decan-2-ylmethyl(propan-2-yl)amino]acetonitrile
CID 102848118

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]acetonitrile?
The IUPAC name of 2-[methyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]acetonitrile (CID 102897996) is 2-[methyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]acetonitrile.
What is the SMILES notation for 2-[methyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]acetonitrile?
The canonical SMILES for 2-[methyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]acetonitrile is CN(CC#N)CC1CCC2(CCCC2)O1.
What is the InChIKey of 2-[methyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]acetonitrile?
The InChIKey is MFYYWLFZEJLTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-14(9-8-13)10-11-4-7-12(15-11)5-2-3-6-12/h11H,2-7,9-10H2,1H3.
What are the key properties of 2-[methyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]acetonitrile?
2-[methyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]acetonitrile has a molecular weight of 208.30 g/mol, XLogP of 1.93, 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[4.4]nonan-2-ylmethyl)amino]acetonitrile is sourced from PubChem (CID 102897996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).