2-cyclopropyl-2-(methylamino)propanenitrile

C7H12N2 — CID 43114993

IUPAC2-cyclopropyl-2-(methylamino)propanenitrile
SMILESCNC(C)(C#N)C1CC1
InChIInChI=1S/C7H12N2/c1-7(5-8,9-2)6-3-4-6/h6,9H,3-4H2,1-2H3
InChIKeyOZLQTEIBZXQTLQ-UHFFFAOYSA-N
MW124.19 g/mol
LogP0.90
Rot. Bonds2

About 2-cyclopropyl-2-(methylamino)propanenitrile

2-cyclopropyl-2-(methylamino)propanenitrile (PubChem CID 43114993) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 2-cyclopropyl-2-(methylamino)propanenitrile.

Molecular Properties

Compound Name2-cyclopropyl-2-(methylamino)propanenitrile
PubChem CID43114993
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name2-cyclopropyl-2-(methylamino)propanenitrile
SMILESCNC(C)(C#N)C1CC1
InChIInChI=1S/C7H12N2/c1-7(5-8,9-2)6-3-4-6/h6,9H,3-4H2,1-2H3
InChIKeyOZLQTEIBZXQTLQ-UHFFFAOYSA-N
XLogP0.90
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.90
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)propanenitrile?
The IUPAC name of 2-cyclopropyl-2-(methylamino)propanenitrile (CID 43114993) is 2-cyclopropyl-2-(methylamino)propanenitrile.
What is the SMILES notation for 2-cyclopropyl-2-(methylamino)propanenitrile?
The canonical SMILES for 2-cyclopropyl-2-(methylamino)propanenitrile is CNC(C)(C#N)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(methylamino)propanenitrile?
The InChIKey is OZLQTEIBZXQTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-7(5-8,9-2)6-3-4-6/h6,9H,3-4H2,1-2H3.
What are the key properties of 2-cyclopropyl-2-(methylamino)propanenitrile?
2-cyclopropyl-2-(methylamino)propanenitrile has a molecular weight of 124.19 g/mol, XLogP of 0.90, 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)propanenitrile is sourced from PubChem (CID 43114993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).