N-(2-cyanopropyl)-N-ethyl-2-(methylamino)acetamide

C9H17N3O — CID 60962782

IUPACN-(2-cyanopropyl)-N-ethyl-2-(methylamino)acetamide
SMILESCCN(CC(C)C#N)C(=O)CNC
InChIInChI=1S/C9H17N3O/c1-4-12(7-8(2)5-10)9(13)6-11-3/h8,11H,4,6-7H2,1-3H3
InChIKeyIKOFXSUXTVWAQD-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.21
Rot. Bonds5

About N-(2-cyanopropyl)-N-ethyl-2-(methylamino)acetamide

N-(2-cyanopropyl)-N-ethyl-2-(methylamino)acetamide (PubChem CID 60962782) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is N-(2-cyanopropyl)-N-ethyl-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-N-ethyl-2-(methylamino)acetamide
PubChem CID60962782
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC NameN-(2-cyanopropyl)-N-ethyl-2-(methylamino)acetamide
SMILESCCN(CC(C)C#N)C(=O)CNC
InChIInChI=1S/C9H17N3O/c1-4-12(7-8(2)5-10)9(13)6-11-3/h8,11H,4,6-7H2,1-3H3
InChIKeyIKOFXSUXTVWAQD-UHFFFAOYSA-N
XLogP0.21
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-N-ethyl-2-(methylamino)acetamide?
The IUPAC name of N-(2-cyanopropyl)-N-ethyl-2-(methylamino)acetamide (CID 60962782) is N-(2-cyanopropyl)-N-ethyl-2-(methylamino)acetamide.
What is the SMILES notation for N-(2-cyanopropyl)-N-ethyl-2-(methylamino)acetamide?
The canonical SMILES for N-(2-cyanopropyl)-N-ethyl-2-(methylamino)acetamide is CCN(CC(C)C#N)C(=O)CNC.
What is the InChIKey of N-(2-cyanopropyl)-N-ethyl-2-(methylamino)acetamide?
The InChIKey is IKOFXSUXTVWAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-4-12(7-8(2)5-10)9(13)6-11-3/h8,11H,4,6-7H2,1-3H3.
What are the key properties of N-(2-cyanopropyl)-N-ethyl-2-(methylamino)acetamide?
N-(2-cyanopropyl)-N-ethyl-2-(methylamino)acetamide has a molecular weight of 183.25 g/mol, XLogP of 0.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-N-ethyl-2-(methylamino)acetamide is sourced from PubChem (CID 60962782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).