2-amino-N-(1-cyanocyclopropyl)-4,4-dimethylpentanamide

C11H19N3O — CID 20825341

IUPAC2-amino-N-(1-cyanocyclopropyl)-4,4-dimethylpentanamide
SMILESCC(C)(C)CC(N)C(=O)NC1(C#N)CC1
InChIInChI=1S/C11H19N3O/c1-10(2,3)6-8(13)9(15)14-11(7-12)4-5-11/h8H,4-6,13H2,1-3H3,(H,14,15)
InChIKeySYHAINGRAFVELF-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.92
Rot. Bonds3

About 2-amino-N-(1-cyanocyclopropyl)-4,4-dimethylpentanamide

2-amino-N-(1-cyanocyclopropyl)-4,4-dimethylpentanamide (PubChem CID 20825341) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-amino-N-(1-cyanocyclopropyl)-4,4-dimethylpentanamide.

Molecular Properties

Compound Name2-amino-N-(1-cyanocyclopropyl)-4,4-dimethylpentanamide
PubChem CID20825341
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-amino-N-(1-cyanocyclopropyl)-4,4-dimethylpentanamide
SMILESCC(C)(C)CC(N)C(=O)NC1(C#N)CC1
InChIInChI=1S/C11H19N3O/c1-10(2,3)6-8(13)9(15)14-11(7-12)4-5-11/h8H,4-6,13H2,1-3H3,(H,14,15)
InChIKeySYHAINGRAFVELF-UHFFFAOYSA-N
XLogP0.92
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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-cyanocyclopropyl)-4,4-dimethylpentanamide?
The IUPAC name of 2-amino-N-(1-cyanocyclopropyl)-4,4-dimethylpentanamide (CID 20825341) is 2-amino-N-(1-cyanocyclopropyl)-4,4-dimethylpentanamide.
What is the SMILES notation for 2-amino-N-(1-cyanocyclopropyl)-4,4-dimethylpentanamide?
The canonical SMILES for 2-amino-N-(1-cyanocyclopropyl)-4,4-dimethylpentanamide is CC(C)(C)CC(N)C(=O)NC1(C#N)CC1.
What is the InChIKey of 2-amino-N-(1-cyanocyclopropyl)-4,4-dimethylpentanamide?
The InChIKey is SYHAINGRAFVELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-10(2,3)6-8(13)9(15)14-11(7-12)4-5-11/h8H,4-6,13H2,1-3H3,(H,14,15).
What are the key properties of 2-amino-N-(1-cyanocyclopropyl)-4,4-dimethylpentanamide?
2-amino-N-(1-cyanocyclopropyl)-4,4-dimethylpentanamide has a molecular weight of 209.29 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-cyanocyclopropyl)-4,4-dimethylpentanamide is sourced from PubChem (CID 20825341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).