2-(dicyclopropylamino)acetonitrile

C8H12N2 — CID 87064277

IUPAC2-(dicyclopropylamino)acetonitrile
SMILESN#CCN(C1CC1)C1CC1
InChIInChI=1S/C8H12N2/c9-5-6-10(7-1-2-7)8-3-4-8/h7-8H,1-4,6H2
InChIKeyLIULYSDSTQNLCQ-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.14
Rot. Bonds3

About 2-(dicyclopropylamino)acetonitrile

2-(dicyclopropylamino)acetonitrile (PubChem CID 87064277) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 2-(dicyclopropylamino)acetonitrile.

Molecular Properties

Compound Name2-(dicyclopropylamino)acetonitrile
PubChem CID87064277
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name2-(dicyclopropylamino)acetonitrile
SMILESN#CCN(C1CC1)C1CC1
InChIInChI=1S/C8H12N2/c9-5-6-10(7-1-2-7)8-3-4-8/h7-8H,1-4,6H2
InChIKeyLIULYSDSTQNLCQ-UHFFFAOYSA-N
XLogP1.14
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(dicyclopropylamino)acetonitrile?
The IUPAC name of 2-(dicyclopropylamino)acetonitrile (CID 87064277) is 2-(dicyclopropylamino)acetonitrile.
What is the SMILES notation for 2-(dicyclopropylamino)acetonitrile?
The canonical SMILES for 2-(dicyclopropylamino)acetonitrile is N#CCN(C1CC1)C1CC1.
What is the InChIKey of 2-(dicyclopropylamino)acetonitrile?
The InChIKey is LIULYSDSTQNLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c9-5-6-10(7-1-2-7)8-3-4-8/h7-8H,1-4,6H2.
What are the key properties of 2-(dicyclopropylamino)acetonitrile?
2-(dicyclopropylamino)acetonitrile has a molecular weight of 136.20 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dicyclopropylamino)acetonitrile is sourced from PubChem (CID 87064277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).