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

C15H26N2O — CID 102848114

IUPAC3-[ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propanenitrile
SMILESCCN(CCC#N)CC1CCC2(CCCCC2)O1
InChIInChI=1S/C15H26N2O/c1-2-17(12-6-11-16)13-14-7-10-15(18-14)8-4-3-5-9-15/h14H,2-10,12-13H2,1H3
InChIKeyZCUVWGYLDAUENY-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.10
Rot. Bonds5

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

3-[ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propanenitrile (PubChem CID 102848114) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 3-[ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propanenitrile
PubChem CID102848114
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name3-[ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propanenitrile
SMILESCCN(CCC#N)CC1CCC2(CCCCC2)O1
InChIInChI=1S/C15H26N2O/c1-2-17(12-6-11-16)13-14-7-10-15(18-14)8-4-3-5-9-15/h14H,2-10,12-13H2,1H3
InChIKeyZCUVWGYLDAUENY-UHFFFAOYSA-N
XLogP3.10
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[Methyl(oxolan-2-ylmethyl)amino]cyclohexane-1-carbonitrile
CID 61431932
2-[Ethyl(oxolan-2-ylmethyl)amino]cyclohexane-1-carbonitrile
CID 61434160
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
2-[Methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]ethanol
CID 102848055
2-[1-Oxaspiro[4.5]decan-2-ylmethyl(propyl)amino]ethanol
CID 102848059
1-(1-Oxaspiro[4.5]decan-2-ylmethyl)piperidine-4-carbonitrile
CID 102848070
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-[2-Methoxyethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]ethanol
CID 102848082
2-[Methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetonitrile
CID 102848083

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propanenitrile?
The IUPAC name of 3-[ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propanenitrile (CID 102848114) is 3-[ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propanenitrile.
What is the SMILES notation for 3-[ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propanenitrile?
The canonical SMILES for 3-[ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propanenitrile is CCN(CCC#N)CC1CCC2(CCCCC2)O1.
What is the InChIKey of 3-[ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propanenitrile?
The InChIKey is ZCUVWGYLDAUENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-2-17(12-6-11-16)13-14-7-10-15(18-14)8-4-3-5-9-15/h14H,2-10,12-13H2,1H3.
What are the key properties of 3-[ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propanenitrile?
3-[ethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propanenitrile has a molecular weight of 250.39 g/mol, XLogP of 3.10, 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]propanenitrile is sourced from PubChem (CID 102848114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).