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

C15H26N2O — CID 102848119

IUPAC3-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]butanenitrile
SMILESCC(CC#N)N(C)CC1CCC2(CCCCC2)O1
InChIInChI=1S/C15H26N2O/c1-13(7-11-16)17(2)12-14-6-10-15(18-14)8-4-3-5-9-15/h13-14H,3-10,12H2,1-2H3
InChIKeyQHNWVHOZRQOVOL-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.10
Rot. Bonds4

About 3-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]butanenitrile

3-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]butanenitrile (PubChem CID 102848119) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 3-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]butanenitrile.

Molecular Properties

Compound Name3-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]butanenitrile
PubChem CID102848119
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name3-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]butanenitrile
SMILESCC(CC#N)N(C)CC1CCC2(CCCCC2)O1
InChIInChI=1S/C15H26N2O/c1-13(7-11-16)17(2)12-14-6-10-15(18-14)8-4-3-5-9-15/h13-14H,3-10,12H2,1-2H3
InChIKeyQHNWVHOZRQOVOL-UHFFFAOYSA-N
XLogP3.10
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
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

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Related Compounds

2-[Methyl(oxolan-2-ylmethyl)amino]cyclohexane-1-carbonitrile
CID 61431932
2-[Methyl(oxolan-2-ylmethyl)amino]cycloheptane-1-carbonitrile
CID 61431981
4-Methyl-2-[methyl(oxolan-2-ylmethyl)amino]cyclohexane-1-carbonitrile
CID 61431982
4-Ethyl-2-[methyl(oxolan-2-ylmethyl)amino]cyclohexane-1-carbonitrile
CID 61432028
2-[Methyl(oxolan-2-ylmethyl)amino]-4-propylcyclohexane-1-carbonitrile
CID 61432029
2-[Ethyl(oxolan-2-ylmethyl)amino]cyclohexane-1-carbonitrile
CID 61434160
2-[Ethyl(oxolan-2-ylmethyl)amino]cycloheptane-1-carbonitrile
CID 61434208
2-[Ethyl(oxolan-2-ylmethyl)amino]-4-methylcyclohexane-1-carbonitrile
CID 61434209
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-[Methyl-(2-methyloxolan-3-yl)amino]cyclohexane-1-carbonitrile
CID 82738063

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]butanenitrile?
The IUPAC name of 3-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]butanenitrile (CID 102848119) is 3-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]butanenitrile.
What is the SMILES notation for 3-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]butanenitrile?
The canonical SMILES for 3-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]butanenitrile is CC(CC#N)N(C)CC1CCC2(CCCCC2)O1.
What is the InChIKey of 3-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]butanenitrile?
The InChIKey is QHNWVHOZRQOVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-13(7-11-16)17(2)12-14-6-10-15(18-14)8-4-3-5-9-15/h13-14H,3-10,12H2,1-2H3.
What are the key properties of 3-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]butanenitrile?
3-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]butanenitrile has a molecular weight of 250.39 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]butanenitrile is sourced from PubChem (CID 102848119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).