2-(3-aminoazetidin-1-yl)-2-cyclopentylacetonitrile

C10H17N3 — CID 121209833

IUPAC2-(3-aminoazetidin-1-yl)-2-cyclopentylacetonitrile
SMILESN#CC(C1CCCC1)N1CC(N)C1
InChIInChI=1S/C10H17N3/c11-5-10(8-3-1-2-4-8)13-6-9(12)7-13/h8-10H,1-4,6-7,12H2
InChIKeyOFPIOEHTHHBFGB-UHFFFAOYSA-N
MW179.27 g/mol
LogP0.71
Rot. Bonds2

About 2-(3-aminoazetidin-1-yl)-2-cyclopentylacetonitrile

2-(3-aminoazetidin-1-yl)-2-cyclopentylacetonitrile (PubChem CID 121209833) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 2-(3-aminoazetidin-1-yl)-2-cyclopentylacetonitrile.

Molecular Properties

Compound Name2-(3-aminoazetidin-1-yl)-2-cyclopentylacetonitrile
PubChem CID121209833
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name2-(3-aminoazetidin-1-yl)-2-cyclopentylacetonitrile
SMILESN#CC(C1CCCC1)N1CC(N)C1
InChIInChI=1S/C10H17N3/c11-5-10(8-3-1-2-4-8)13-6-9(12)7-13/h8-10H,1-4,6-7,12H2
InChIKeyOFPIOEHTHHBFGB-UHFFFAOYSA-N
XLogP0.71
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-2-piperidin-1-ylacetonitrile
CID 62071262
3-[(3R)-3-aminopyrrolidin-1-yl]-2-cyclobutylpropanenitrile
CID 130944153
2-cyclohexyl-2-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)acetonitrile
CID 79580437
2-[(3R)-3-aminopiperidin-1-yl]butanenitrile
CID 102985382
2-cyclohexylpropanedinitrile
CID 11171058
2-cyclohexyl-2-(4-methyl-2,6-dioxopiperidin-1-yl)acetonitrile
CID 62933976
1-(1-cyclopentylpropyl)pyrrolidin-3-amine
CID 130948140
2-cyclohexylpropanedinitrile;methane
CID 142914800
1-[(1S)-1-cyclohexylprop-2-ynyl]pyrrolidine
CID 102230508
4-amino-4-cyclopentylbutanenitrile
CID 116940090
(2S)-2-cyclohexyl-2-fluoroacetonitrile
CID 11040792
(2S)-2-chloro-2-cyclohexylacetonitrile
CID 94056855

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminoazetidin-1-yl)-2-cyclopentylacetonitrile?
The IUPAC name of 2-(3-aminoazetidin-1-yl)-2-cyclopentylacetonitrile (CID 121209833) is 2-(3-aminoazetidin-1-yl)-2-cyclopentylacetonitrile.
What is the SMILES notation for 2-(3-aminoazetidin-1-yl)-2-cyclopentylacetonitrile?
The canonical SMILES for 2-(3-aminoazetidin-1-yl)-2-cyclopentylacetonitrile is N#CC(C1CCCC1)N1CC(N)C1.
What is the InChIKey of 2-(3-aminoazetidin-1-yl)-2-cyclopentylacetonitrile?
The InChIKey is OFPIOEHTHHBFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c11-5-10(8-3-1-2-4-8)13-6-9(12)7-13/h8-10H,1-4,6-7,12H2.
What are the key properties of 2-(3-aminoazetidin-1-yl)-2-cyclopentylacetonitrile?
2-(3-aminoazetidin-1-yl)-2-cyclopentylacetonitrile has a molecular weight of 179.27 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminoazetidin-1-yl)-2-cyclopentylacetonitrile is sourced from PubChem (CID 121209833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).