2-[(3-cyano-3-methylbutyl)-methylamino]acetamide

C9H17N3O — CID 65251652

IUPAC2-[(3-cyano-3-methylbutyl)-methylamino]acetamide
SMILESCN(CCC(C)(C)C#N)CC(N)=O
InChIInChI=1S/C9H17N3O/c1-9(2,7-10)4-5-12(3)6-8(11)13/h4-6H2,1-3H3,(H2,11,13)
InChIKeyKIJFIBMJJKUGAI-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.34
Rot. Bonds5

About 2-[(3-cyano-3-methylbutyl)-methylamino]acetamide

2-[(3-cyano-3-methylbutyl)-methylamino]acetamide (PubChem CID 65251652) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-[(3-cyano-3-methylbutyl)-methylamino]acetamide.

Molecular Properties

Compound Name2-[(3-cyano-3-methylbutyl)-methylamino]acetamide
PubChem CID65251652
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name2-[(3-cyano-3-methylbutyl)-methylamino]acetamide
SMILESCN(CCC(C)(C)C#N)CC(N)=O
InChIInChI=1S/C9H17N3O/c1-9(2,7-10)4-5-12(3)6-8(11)13/h4-6H2,1-3H3,(H2,11,13)
InChIKeyKIJFIBMJJKUGAI-UHFFFAOYSA-N
XLogP0.34
TPSA70.12 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 ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-3-methylbutyl)-methylamino]acetamide?
The IUPAC name of 2-[(3-cyano-3-methylbutyl)-methylamino]acetamide (CID 65251652) is 2-[(3-cyano-3-methylbutyl)-methylamino]acetamide.
What is the SMILES notation for 2-[(3-cyano-3-methylbutyl)-methylamino]acetamide?
The canonical SMILES for 2-[(3-cyano-3-methylbutyl)-methylamino]acetamide is CN(CCC(C)(C)C#N)CC(N)=O.
What is the InChIKey of 2-[(3-cyano-3-methylbutyl)-methylamino]acetamide?
The InChIKey is KIJFIBMJJKUGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-9(2,7-10)4-5-12(3)6-8(11)13/h4-6H2,1-3H3,(H2,11,13).
What are the key properties of 2-[(3-cyano-3-methylbutyl)-methylamino]acetamide?
2-[(3-cyano-3-methylbutyl)-methylamino]acetamide has a molecular weight of 183.25 g/mol, XLogP of 0.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyano-3-methylbutyl)-methylamino]acetamide is sourced from PubChem (CID 65251652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).