2-cyclopropyl-2-(methylamino)acetonitrile

C6H10N2 — CID 61309780

IUPAC2-cyclopropyl-2-(methylamino)acetonitrile
SMILESCNC(C#N)C1CC1
InChIInChI=1S/C6H10N2/c1-8-6(4-7)5-2-3-5/h5-6,8H,2-3H2,1H3
InChIKeyUSCRFYXXIMVNGR-UHFFFAOYSA-N
MW110.16 g/mol
LogP0.51
Rot. Bonds2

About 2-cyclopropyl-2-(methylamino)acetonitrile

2-cyclopropyl-2-(methylamino)acetonitrile (PubChem CID 61309780) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is 2-cyclopropyl-2-(methylamino)acetonitrile.

Molecular Properties

Compound Name2-cyclopropyl-2-(methylamino)acetonitrile
PubChem CID61309780
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name2-cyclopropyl-2-(methylamino)acetonitrile
SMILESCNC(C#N)C1CC1
InChIInChI=1S/C6H10N2/c1-8-6(4-7)5-2-3-5/h5-6,8H,2-3H2,1H3
InChIKeyUSCRFYXXIMVNGR-UHFFFAOYSA-N
XLogP0.51
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(methylamino)acetonitrile?
The IUPAC name of 2-cyclopropyl-2-(methylamino)acetonitrile (CID 61309780) is 2-cyclopropyl-2-(methylamino)acetonitrile.
What is the SMILES notation for 2-cyclopropyl-2-(methylamino)acetonitrile?
The canonical SMILES for 2-cyclopropyl-2-(methylamino)acetonitrile is CNC(C#N)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(methylamino)acetonitrile?
The InChIKey is USCRFYXXIMVNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2/c1-8-6(4-7)5-2-3-5/h5-6,8H,2-3H2,1H3.
What are the key properties of 2-cyclopropyl-2-(methylamino)acetonitrile?
2-cyclopropyl-2-(methylamino)acetonitrile has a molecular weight of 110.16 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(methylamino)acetonitrile is sourced from PubChem (CID 61309780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).