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

C17H30N2O — CID 102848106

IUPAC3-[2-methylpropyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propanenitrile
SMILESCC(C)CN(CCC#N)CC1CCC2(CCCCC2)O1
InChIInChI=1S/C17H30N2O/c1-15(2)13-19(12-6-11-18)14-16-7-10-17(20-16)8-4-3-5-9-17/h15-16H,3-10,12-14H2,1-2H3
InChIKeyXNOPSGCHDJJWBY-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.74
Rot. Bonds6

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

3-[2-methylpropyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propanenitrile (PubChem CID 102848106) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 3-[2-methylpropyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[2-methylpropyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propanenitrile
PubChem CID102848106
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name3-[2-methylpropyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propanenitrile
SMILESCC(C)CN(CCC#N)CC1CCC2(CCCCC2)O1
InChIInChI=1S/C17H30N2O/c1-15(2)13-19(12-6-11-18)14-16-7-10-17(20-16)8-4-3-5-9-17/h15-16H,3-10,12-14H2,1-2H3
InChIKeyXNOPSGCHDJJWBY-UHFFFAOYSA-N
XLogP3.74
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.74
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
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

Frequently Asked Questions

What is the IUPAC name of 3-[2-methylpropyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propanenitrile?
The IUPAC name of 3-[2-methylpropyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propanenitrile (CID 102848106) is 3-[2-methylpropyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propanenitrile.
What is the SMILES notation for 3-[2-methylpropyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propanenitrile?
The canonical SMILES for 3-[2-methylpropyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propanenitrile is CC(C)CN(CCC#N)CC1CCC2(CCCCC2)O1.
What is the InChIKey of 3-[2-methylpropyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propanenitrile?
The InChIKey is XNOPSGCHDJJWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-15(2)13-19(12-6-11-18)14-16-7-10-17(20-16)8-4-3-5-9-17/h15-16H,3-10,12-14H2,1-2H3.
What are the key properties of 3-[2-methylpropyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propanenitrile?
3-[2-methylpropyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propanenitrile has a molecular weight of 278.44 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methylpropyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]propanenitrile is sourced from PubChem (CID 102848106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).