3-[ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]-2-methylpropanenitrile

C16H28N2O — CID 102848073

IUPAC3-[ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]-2-methylpropanenitrile
SMILESCCN(CC(C)C#N)CC1CCC2(CCCCC2)O1
InChIInChI=1S/C16H28N2O/c1-3-18(12-14(2)11-17)13-15-7-10-16(19-15)8-5-4-6-9-16/h14-15H,3-10,12-13H2,1-2H3
InChIKeyWKWQWMMHPRDDGW-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.35
Rot. Bonds5

About 3-[ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]-2-methylpropanenitrile

3-[ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]-2-methylpropanenitrile (PubChem CID 102848073) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 3-[ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]-2-methylpropanenitrile
PubChem CID102848073
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name3-[ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]-2-methylpropanenitrile
SMILESCCN(CC(C)C#N)CC1CCC2(CCCCC2)O1
InChIInChI=1S/C16H28N2O/c1-3-18(12-14(2)11-17)13-15-7-10-16(19-15)8-5-4-6-9-16/h14-15H,3-10,12-13H2,1-2H3
InChIKeyWKWQWMMHPRDDGW-UHFFFAOYSA-N
XLogP3.35
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[Methyl(oxolan-2-ylmethyl)amino]cyclohexane-1-carbonitrile
CID 61431932
2-[Methyl(oxolan-2-ylmethyl)amino]-4-propylcyclohexane-1-carbonitrile
CID 61432029
2-[Ethyl(oxolan-2-ylmethyl)amino]cyclohexane-1-carbonitrile
CID 61434160
4-Ethyl-2-[ethyl(oxolan-2-ylmethyl)amino]cyclohexane-1-carbonitrile
CID 61434256
2-[Ethyl(oxolan-2-ylmethyl)amino]-4-propylcyclohexane-1-carbonitrile
CID 61434257
2-[(4-Methylcyclohexyl)-(oxolan-2-ylmethyl)amino]acetonitrile
CID 71988924
2-[(4-methylcyclohexyl)-[[(2S)-oxolan-2-yl]methyl]amino]acetonitrile
CID 96068953
2-[(4-methylcyclohexyl)-[[(2R)-oxolan-2-yl]methyl]amino]acetonitrile
CID 96068954
1-(1-Oxaspiro[4.5]decan-2-ylmethyl)piperidine-4-carbonitrile
CID 102848070
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-[Butyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]ethanol
CID 102848091

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]-2-methylpropanenitrile?
The IUPAC name of 3-[ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]-2-methylpropanenitrile (CID 102848073) is 3-[ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]-2-methylpropanenitrile.
What is the SMILES notation for 3-[ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]-2-methylpropanenitrile?
The canonical SMILES for 3-[ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]-2-methylpropanenitrile is CCN(CC(C)C#N)CC1CCC2(CCCCC2)O1.
What is the InChIKey of 3-[ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]-2-methylpropanenitrile?
The InChIKey is WKWQWMMHPRDDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-3-18(12-14(2)11-17)13-15-7-10-16(19-15)8-5-4-6-9-16/h14-15H,3-10,12-13H2,1-2H3.
What are the key properties of 3-[ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]-2-methylpropanenitrile?
3-[ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]-2-methylpropanenitrile has a molecular weight of 264.41 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]-2-methylpropanenitrile is sourced from PubChem (CID 102848073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).