2-(ethylamino)propanenitrile;N-methoxyformamide

C7H15N3O2 — CID 23311295

IUPAC2-(ethylamino)propanenitrile;N-methoxyformamide
SMILESCCNC(C)C#N.CONC=O
InChIInChI=1S/C5H10N2.C2H5NO2/c1-3-7-5(2)4-6;1-5-3-2-4/h5,7H,3H2,1-2H3;2H,1H3,(H,3,4)
InChIKeyVQEDHQONMMNBQU-UHFFFAOYSA-N
MW173.22 g/mol
LogP-0.20
Rot. Bonds4

About 2-(ethylamino)propanenitrile;N-methoxyformamide

2-(ethylamino)propanenitrile;N-methoxyformamide (PubChem CID 23311295) has the molecular formula C7H15N3O2 and a molecular weight of 173.22 g/mol. Its IUPAC name is 2-(ethylamino)propanenitrile;N-methoxyformamide.

Molecular Properties

Compound Name2-(ethylamino)propanenitrile;N-methoxyformamide
PubChem CID23311295
Molecular FormulaC7H15N3O2
Molecular Weight173.22 g/mol
Exact Mass173.12
IUPAC Name2-(ethylamino)propanenitrile;N-methoxyformamide
SMILESCCNC(C)C#N.CONC=O
InChIInChI=1S/C5H10N2.C2H5NO2/c1-3-7-5(2)4-6;1-5-3-2-4/h5,7H,3H2,1-2H3;2H,1H3,(H,3,4)
InChIKeyVQEDHQONMMNBQU-UHFFFAOYSA-N
XLogP-0.20
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)propanenitrile;N-methoxyformamide?
The IUPAC name of 2-(ethylamino)propanenitrile;N-methoxyformamide (CID 23311295) is 2-(ethylamino)propanenitrile;N-methoxyformamide.
What is the SMILES notation for 2-(ethylamino)propanenitrile;N-methoxyformamide?
The canonical SMILES for 2-(ethylamino)propanenitrile;N-methoxyformamide is CCNC(C)C#N.CONC=O.
What is the InChIKey of 2-(ethylamino)propanenitrile;N-methoxyformamide?
The InChIKey is VQEDHQONMMNBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2.C2H5NO2/c1-3-7-5(2)4-6;1-5-3-2-4/h5,7H,3H2,1-2H3;2H,1H3,(H,3,4).
What are the key properties of 2-(ethylamino)propanenitrile;N-methoxyformamide?
2-(ethylamino)propanenitrile;N-methoxyformamide has a molecular weight of 173.22 g/mol, XLogP of -0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)propanenitrile;N-methoxyformamide is sourced from PubChem (CID 23311295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).