2-amino-N-(1-cyanobutan-2-yl)-2-cyclopropylpropanamide

C11H19N3O — CID 62646915

IUPAC2-amino-N-(1-cyanobutan-2-yl)-2-cyclopropylpropanamide
SMILESCCC(CC#N)NC(=O)C(C)(N)C1CC1
InChIInChI=1S/C11H19N3O/c1-3-9(6-7-12)14-10(15)11(2,13)8-4-5-8/h8-9H,3-6,13H2,1-2H3,(H,14,15)
InChIKeyDSGWGWTUYZAWJO-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.92
Rot. Bonds5

About 2-amino-N-(1-cyanobutan-2-yl)-2-cyclopropylpropanamide

2-amino-N-(1-cyanobutan-2-yl)-2-cyclopropylpropanamide (PubChem CID 62646915) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-amino-N-(1-cyanobutan-2-yl)-2-cyclopropylpropanamide.

Molecular Properties

Compound Name2-amino-N-(1-cyanobutan-2-yl)-2-cyclopropylpropanamide
PubChem CID62646915
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-amino-N-(1-cyanobutan-2-yl)-2-cyclopropylpropanamide
SMILESCCC(CC#N)NC(=O)C(C)(N)C1CC1
InChIInChI=1S/C11H19N3O/c1-3-9(6-7-12)14-10(15)11(2,13)8-4-5-8/h8-9H,3-6,13H2,1-2H3,(H,14,15)
InChIKeyDSGWGWTUYZAWJO-UHFFFAOYSA-N
XLogP0.92
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-cyanobutan-2-yl)-2-cyclopropylpropanamide?
The IUPAC name of 2-amino-N-(1-cyanobutan-2-yl)-2-cyclopropylpropanamide (CID 62646915) is 2-amino-N-(1-cyanobutan-2-yl)-2-cyclopropylpropanamide.
What is the SMILES notation for 2-amino-N-(1-cyanobutan-2-yl)-2-cyclopropylpropanamide?
The canonical SMILES for 2-amino-N-(1-cyanobutan-2-yl)-2-cyclopropylpropanamide is CCC(CC#N)NC(=O)C(C)(N)C1CC1.
What is the InChIKey of 2-amino-N-(1-cyanobutan-2-yl)-2-cyclopropylpropanamide?
The InChIKey is DSGWGWTUYZAWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-3-9(6-7-12)14-10(15)11(2,13)8-4-5-8/h8-9H,3-6,13H2,1-2H3,(H,14,15).
What are the key properties of 2-amino-N-(1-cyanobutan-2-yl)-2-cyclopropylpropanamide?
2-amino-N-(1-cyanobutan-2-yl)-2-cyclopropylpropanamide has a molecular weight of 209.29 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-cyanobutan-2-yl)-2-cyclopropylpropanamide is sourced from PubChem (CID 62646915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).