3-[1-oxaspiro[5.5]undecan-4-yl(propan-2-yl)amino]propanenitrile

C16H28N2O — CID 79903868

IUPAC3-[1-oxaspiro[5.5]undecan-4-yl(propan-2-yl)amino]propanenitrile
SMILESCC(C)N(CCC#N)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C16H28N2O/c1-14(2)18(11-6-10-17)15-7-12-19-16(13-15)8-4-3-5-9-16/h14-15H,3-9,11-13H2,1-2H3
InChIKeyDFCOGLIJKPQTQK-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.49
Rot. Bonds4

About 3-[1-oxaspiro[5.5]undecan-4-yl(propan-2-yl)amino]propanenitrile

3-[1-oxaspiro[5.5]undecan-4-yl(propan-2-yl)amino]propanenitrile (PubChem CID 79903868) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 3-[1-oxaspiro[5.5]undecan-4-yl(propan-2-yl)amino]propanenitrile.

Molecular Properties

Compound Name3-[1-oxaspiro[5.5]undecan-4-yl(propan-2-yl)amino]propanenitrile
PubChem CID79903868
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name3-[1-oxaspiro[5.5]undecan-4-yl(propan-2-yl)amino]propanenitrile
SMILESCC(C)N(CCC#N)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C16H28N2O/c1-14(2)18(11-6-10-17)15-7-12-19-16(13-15)8-4-3-5-9-16/h14-15H,3-9,11-13H2,1-2H3
InChIKeyDFCOGLIJKPQTQK-UHFFFAOYSA-N
XLogP3.49
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[1-oxaspiro[5.5]undecan-4-yl(propan-2-yl)amino]propanenitrile with MolForge

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Related Compounds

N'-(6-oxaspiro[4.5]decan-9-yl)-N'-propan-2-ylpropane-1,3-diamine
CID 79905220
3-[2-methoxyethyl(5-oxaspiro[3.5]nonan-8-yl)amino]propanenitrile
CID 79903494
3-[1,9-dioxaspiro[5.5]undecan-4-yl(methyl)amino]propanenitrile
CID 79903565
2-[6-oxaspiro[4.5]decan-9-yl(propyl)amino]acetonitrile
CID 79903017
2-[1-oxaspiro[5.5]undecan-4-yl(pentan-3-yl)amino]ethanol
CID 79919415
4-[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]butan-2-ol
CID 113499845
N-(piperidin-2-ylmethyl)-N-propan-2-yl-5-oxaspiro[3.5]nonan-8-amine
CID 106632077
2-[butan-2-yl(6-oxaspiro[4.5]decan-9-yl)amino]acetic acid
CID 79894511
1-N,4-dimethyl-1-N-(1-oxaspiro[5.5]undecan-4-yl)pentane-1,3-diamine
CID 115318032
2-[2-hydroxyethyl(1-oxaspiro[5.5]undecan-4-yl)amino]ethanol
CID 79920437
2-N-methyl-2-N-(6-oxaspiro[4.5]decan-9-yl)propane-1,2-diamine
CID 104556896
2-[5-oxaspiro[3.5]nonan-8-yl(pentan-3-yl)amino]ethanol
CID 79919992

Frequently Asked Questions

What is the IUPAC name of 3-[1-oxaspiro[5.5]undecan-4-yl(propan-2-yl)amino]propanenitrile?
The IUPAC name of 3-[1-oxaspiro[5.5]undecan-4-yl(propan-2-yl)amino]propanenitrile (CID 79903868) is 3-[1-oxaspiro[5.5]undecan-4-yl(propan-2-yl)amino]propanenitrile.
What is the SMILES notation for 3-[1-oxaspiro[5.5]undecan-4-yl(propan-2-yl)amino]propanenitrile?
The canonical SMILES for 3-[1-oxaspiro[5.5]undecan-4-yl(propan-2-yl)amino]propanenitrile is CC(C)N(CCC#N)C1CCOC2(CCCCC2)C1.
What is the InChIKey of 3-[1-oxaspiro[5.5]undecan-4-yl(propan-2-yl)amino]propanenitrile?
The InChIKey is DFCOGLIJKPQTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-14(2)18(11-6-10-17)15-7-12-19-16(13-15)8-4-3-5-9-16/h14-15H,3-9,11-13H2,1-2H3.
What are the key properties of 3-[1-oxaspiro[5.5]undecan-4-yl(propan-2-yl)amino]propanenitrile?
3-[1-oxaspiro[5.5]undecan-4-yl(propan-2-yl)amino]propanenitrile has a molecular weight of 264.41 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-oxaspiro[5.5]undecan-4-yl(propan-2-yl)amino]propanenitrile is sourced from PubChem (CID 79903868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).