2-amino-2-cyclopropylacetonitrile

C5H8N2 — CID 11240433

IUPAC2-amino-2-cyclopropylacetonitrile
SMILESN#CC(N)C1CC1
InChIInChI=1S/C5H8N2/c6-3-5(7)4-1-2-4/h4-5H,1-2,7H2
InChIKeyUFPIFDIPNZPHQK-UHFFFAOYSA-N
MW96.13 g/mol
LogP0.25
Rot. Bonds1

About 2-amino-2-cyclopropylacetonitrile

2-amino-2-cyclopropylacetonitrile (PubChem CID 11240433) has the molecular formula C5H8N2 and a molecular weight of 96.13 g/mol. Its IUPAC name is 2-amino-2-cyclopropylacetonitrile.

Molecular Properties

Compound Name2-amino-2-cyclopropylacetonitrile
PubChem CID11240433
Molecular FormulaC5H8N2
Molecular Weight96.13 g/mol
Exact Mass96.07
IUPAC Name2-amino-2-cyclopropylacetonitrile
SMILESN#CC(N)C1CC1
InChIInChI=1S/C5H8N2/c6-3-5(7)4-1-2-4/h4-5H,1-2,7H2
InChIKeyUFPIFDIPNZPHQK-UHFFFAOYSA-N
XLogP0.25
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropylacetonitrile?
The IUPAC name of 2-amino-2-cyclopropylacetonitrile (CID 11240433) is 2-amino-2-cyclopropylacetonitrile.
What is the SMILES notation for 2-amino-2-cyclopropylacetonitrile?
The canonical SMILES for 2-amino-2-cyclopropylacetonitrile is N#CC(N)C1CC1.
What is the InChIKey of 2-amino-2-cyclopropylacetonitrile?
The InChIKey is UFPIFDIPNZPHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2/c6-3-5(7)4-1-2-4/h4-5H,1-2,7H2.
What are the key properties of 2-amino-2-cyclopropylacetonitrile?
2-amino-2-cyclopropylacetonitrile has a molecular weight of 96.13 g/mol, XLogP of 0.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropylacetonitrile is sourced from PubChem (CID 11240433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).