4-(azetidin-3-yloxy)-2,2-dimethylpentanenitrile

C10H18N2O — CID 165492872

IUPAC4-(azetidin-3-yloxy)-2,2-dimethylpentanenitrile
SMILESCC(CC(C)(C)C#N)OC1CNC1
InChIInChI=1S/C10H18N2O/c1-8(4-10(2,3)7-11)13-9-5-12-6-9/h8-9,12H,4-6H2,1-3H3
InChIKeyGDEOIRHPQGZSAS-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.30
Rot. Bonds4

About 4-(azetidin-3-yloxy)-2,2-dimethylpentanenitrile

4-(azetidin-3-yloxy)-2,2-dimethylpentanenitrile (PubChem CID 165492872) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 4-(azetidin-3-yloxy)-2,2-dimethylpentanenitrile.

Molecular Properties

Compound Name4-(azetidin-3-yloxy)-2,2-dimethylpentanenitrile
PubChem CID165492872
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name4-(azetidin-3-yloxy)-2,2-dimethylpentanenitrile
SMILESCC(CC(C)(C)C#N)OC1CNC1
InChIInChI=1S/C10H18N2O/c1-8(4-10(2,3)7-11)13-9-5-12-6-9/h8-9,12H,4-6H2,1-3H3
InChIKeyGDEOIRHPQGZSAS-UHFFFAOYSA-N
XLogP1.30
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-pentan-2-yloxyazetidine
CID 102981936
2-amino-4-(3,4-dimethylcyclohexyl)oxy-2-methylpentanenitrile
CID 64746754
2,2,4-trimethylhexanedinitrile
CID 59281697
2-(cyclopropylamino)-2-methyl-4-(3-methylcyclohexyl)oxypentanenitrile
CID 64725366
3-(2-methylpropoxy)azetidine;hydrochloride
CID 67154547
5-methoxypiperidine-3-carbonitrile
CID 123182758
2,2-dimethylbutanenitrile;ethane
CID 144998313
(3S)-3-hydroxy-2,2,5,5-tetramethylhexanedinitrile
CID 166777724
2,2-dimethyl-5-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]pentanenitrile
CID 65255387
2,2-dimethyl-4-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]butanenitrile
CID 65251983
2,2-dimethyl-4-(4-propan-2-ylpiperidin-1-yl)butanenitrile
CID 103925448
6-(azetidin-3-ylmethylsulfinyl)-2,2-dimethylhexanenitrile
CID 106714902

Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-3-yloxy)-2,2-dimethylpentanenitrile?
The IUPAC name of 4-(azetidin-3-yloxy)-2,2-dimethylpentanenitrile (CID 165492872) is 4-(azetidin-3-yloxy)-2,2-dimethylpentanenitrile.
What is the SMILES notation for 4-(azetidin-3-yloxy)-2,2-dimethylpentanenitrile?
The canonical SMILES for 4-(azetidin-3-yloxy)-2,2-dimethylpentanenitrile is CC(CC(C)(C)C#N)OC1CNC1.
What is the InChIKey of 4-(azetidin-3-yloxy)-2,2-dimethylpentanenitrile?
The InChIKey is GDEOIRHPQGZSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-8(4-10(2,3)7-11)13-9-5-12-6-9/h8-9,12H,4-6H2,1-3H3.
What are the key properties of 4-(azetidin-3-yloxy)-2,2-dimethylpentanenitrile?
4-(azetidin-3-yloxy)-2,2-dimethylpentanenitrile has a molecular weight of 182.27 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-3-yloxy)-2,2-dimethylpentanenitrile is sourced from PubChem (CID 165492872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).