2-amino-N-(2-cyanoethyl)-N-cyclopropyl-2-methylbutanamide

C11H19N3O — CID 79804827

IUPAC2-amino-N-(2-cyanoethyl)-N-cyclopropyl-2-methylbutanamide
SMILESCCC(C)(N)C(=O)N(CCC#N)C1CC1
InChIInChI=1S/C11H19N3O/c1-3-11(2,13)10(15)14(8-4-7-12)9-5-6-9/h9H,3-6,8,13H2,1-2H3
InChIKeyVGSRPZXSEAATAC-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.02
Rot. Bonds5

About 2-amino-N-(2-cyanoethyl)-N-cyclopropyl-2-methylbutanamide

2-amino-N-(2-cyanoethyl)-N-cyclopropyl-2-methylbutanamide (PubChem CID 79804827) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-amino-N-(2-cyanoethyl)-N-cyclopropyl-2-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-(2-cyanoethyl)-N-cyclopropyl-2-methylbutanamide
PubChem CID79804827
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-amino-N-(2-cyanoethyl)-N-cyclopropyl-2-methylbutanamide
SMILESCCC(C)(N)C(=O)N(CCC#N)C1CC1
InChIInChI=1S/C11H19N3O/c1-3-11(2,13)10(15)14(8-4-7-12)9-5-6-9/h9H,3-6,8,13H2,1-2H3
InChIKeyVGSRPZXSEAATAC-UHFFFAOYSA-N
XLogP1.02
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-cyanoethyl)-N-cyclopropyl-2-methylbutanamide?
The IUPAC name of 2-amino-N-(2-cyanoethyl)-N-cyclopropyl-2-methylbutanamide (CID 79804827) is 2-amino-N-(2-cyanoethyl)-N-cyclopropyl-2-methylbutanamide.
What is the SMILES notation for 2-amino-N-(2-cyanoethyl)-N-cyclopropyl-2-methylbutanamide?
The canonical SMILES for 2-amino-N-(2-cyanoethyl)-N-cyclopropyl-2-methylbutanamide is CCC(C)(N)C(=O)N(CCC#N)C1CC1.
What is the InChIKey of 2-amino-N-(2-cyanoethyl)-N-cyclopropyl-2-methylbutanamide?
The InChIKey is VGSRPZXSEAATAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-3-11(2,13)10(15)14(8-4-7-12)9-5-6-9/h9H,3-6,8,13H2,1-2H3.
What are the key properties of 2-amino-N-(2-cyanoethyl)-N-cyclopropyl-2-methylbutanamide?
2-amino-N-(2-cyanoethyl)-N-cyclopropyl-2-methylbutanamide has a molecular weight of 209.29 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-cyanoethyl)-N-cyclopropyl-2-methylbutanamide is sourced from PubChem (CID 79804827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).