3-[2-methoxyethyl(5-oxaspiro[3.5]nonan-8-yl)amino]propanenitrile

C14H24N2O2 — CID 79903494

IUPAC3-[2-methoxyethyl(5-oxaspiro[3.5]nonan-8-yl)amino]propanenitrile
SMILESCOCCN(CCC#N)C1CCOC2(CCC2)C1
InChIInChI=1S/C14H24N2O2/c1-17-11-9-16(8-3-7-15)13-4-10-18-14(12-13)5-2-6-14/h13H,2-6,8-12H2,1H3
InChIKeyAFAHCGQANKQUNI-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.95
Rot. Bonds6

About 3-[2-methoxyethyl(5-oxaspiro[3.5]nonan-8-yl)amino]propanenitrile

3-[2-methoxyethyl(5-oxaspiro[3.5]nonan-8-yl)amino]propanenitrile (PubChem CID 79903494) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-[2-methoxyethyl(5-oxaspiro[3.5]nonan-8-yl)amino]propanenitrile.

Molecular Properties

Compound Name3-[2-methoxyethyl(5-oxaspiro[3.5]nonan-8-yl)amino]propanenitrile
PubChem CID79903494
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name3-[2-methoxyethyl(5-oxaspiro[3.5]nonan-8-yl)amino]propanenitrile
SMILESCOCCN(CCC#N)C1CCOC2(CCC2)C1
InChIInChI=1S/C14H24N2O2/c1-17-11-9-16(8-3-7-15)13-4-10-18-14(12-13)5-2-6-14/h13H,2-6,8-12H2,1H3
InChIKeyAFAHCGQANKQUNI-UHFFFAOYSA-N
XLogP1.95
TPSA45.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2,6-dioxaspiro[4.5]decan-9-yl(2-methoxyethyl)amino]propanenitrile
CID 79903333
3-[2-methoxyethyl(5-oxaspiro[3.5]nonan-8-yl)amino]propanethioamide
CID 79905733
3-[2-methoxyethyl(oxan-3-yl)amino]propanenitrile
CID 103856902
2-[6-oxaspiro[4.5]decan-9-yl(propyl)amino]acetonitrile
CID 79903017
3-[1-oxaspiro[5.5]undecan-4-yl(propan-2-yl)amino]propanenitrile
CID 79903868
2-[2,6-dioxaspiro[4.5]decan-9-yl(2-methoxyethyl)amino]ethanol
CID 113468045
3-[1,9-dioxaspiro[5.5]undecan-4-yl(methyl)amino]propanenitrile
CID 79903565
2-[5-oxaspiro[3.5]nonan-8-yl(propyl)amino]ethanol
CID 79919770
2-[2-hydroxyethyl(1-oxaspiro[5.5]undecan-4-yl)amino]ethanol
CID 79920437
N'-butyl-N'-(5-oxaspiro[3.5]nonan-8-yl)ethane-1,2-diamine
CID 79920705
2-[6-oxaspiro[4.5]decan-9-yl(propyl)amino]ethanol
CID 79919654
2-[1-oxa-9-thiaspiro[5.5]undecan-4-yl(propyl)amino]acetonitrile
CID 79903096

Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxyethyl(5-oxaspiro[3.5]nonan-8-yl)amino]propanenitrile?
The IUPAC name of 3-[2-methoxyethyl(5-oxaspiro[3.5]nonan-8-yl)amino]propanenitrile (CID 79903494) is 3-[2-methoxyethyl(5-oxaspiro[3.5]nonan-8-yl)amino]propanenitrile.
What is the SMILES notation for 3-[2-methoxyethyl(5-oxaspiro[3.5]nonan-8-yl)amino]propanenitrile?
The canonical SMILES for 3-[2-methoxyethyl(5-oxaspiro[3.5]nonan-8-yl)amino]propanenitrile is COCCN(CCC#N)C1CCOC2(CCC2)C1.
What is the InChIKey of 3-[2-methoxyethyl(5-oxaspiro[3.5]nonan-8-yl)amino]propanenitrile?
The InChIKey is AFAHCGQANKQUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-17-11-9-16(8-3-7-15)13-4-10-18-14(12-13)5-2-6-14/h13H,2-6,8-12H2,1H3.
What are the key properties of 3-[2-methoxyethyl(5-oxaspiro[3.5]nonan-8-yl)amino]propanenitrile?
3-[2-methoxyethyl(5-oxaspiro[3.5]nonan-8-yl)amino]propanenitrile has a molecular weight of 252.36 g/mol, XLogP of 1.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxyethyl(5-oxaspiro[3.5]nonan-8-yl)amino]propanenitrile is sourced from PubChem (CID 79903494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).