2-[(3-cyano-3-methylbutyl)-propan-2-ylamino]acetamide

C11H21N3O — CID 65251494

IUPAC2-[(3-cyano-3-methylbutyl)-propan-2-ylamino]acetamide
SMILESCC(C)N(CCC(C)(C)C#N)CC(N)=O
InChIInChI=1S/C11H21N3O/c1-9(2)14(7-10(13)15)6-5-11(3,4)8-12/h9H,5-7H2,1-4H3,(H2,13,15)
InChIKeyIGDJEDDVMWDOHY-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.12
Rot. Bonds6

About 2-[(3-cyano-3-methylbutyl)-propan-2-ylamino]acetamide

2-[(3-cyano-3-methylbutyl)-propan-2-ylamino]acetamide (PubChem CID 65251494) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-[(3-cyano-3-methylbutyl)-propan-2-ylamino]acetamide.

Molecular Properties

Compound Name2-[(3-cyano-3-methylbutyl)-propan-2-ylamino]acetamide
PubChem CID65251494
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2-[(3-cyano-3-methylbutyl)-propan-2-ylamino]acetamide
SMILESCC(C)N(CCC(C)(C)C#N)CC(N)=O
InChIInChI=1S/C11H21N3O/c1-9(2)14(7-10(13)15)6-5-11(3,4)8-12/h9H,5-7H2,1-4H3,(H2,13,15)
InChIKeyIGDJEDDVMWDOHY-UHFFFAOYSA-N
XLogP1.12
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.12
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)-propan-2-ylamino]acetamide?
The IUPAC name of 2-[(3-cyano-3-methylbutyl)-propan-2-ylamino]acetamide (CID 65251494) is 2-[(3-cyano-3-methylbutyl)-propan-2-ylamino]acetamide.
What is the SMILES notation for 2-[(3-cyano-3-methylbutyl)-propan-2-ylamino]acetamide?
The canonical SMILES for 2-[(3-cyano-3-methylbutyl)-propan-2-ylamino]acetamide is CC(C)N(CCC(C)(C)C#N)CC(N)=O.
What is the InChIKey of 2-[(3-cyano-3-methylbutyl)-propan-2-ylamino]acetamide?
The InChIKey is IGDJEDDVMWDOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-9(2)14(7-10(13)15)6-5-11(3,4)8-12/h9H,5-7H2,1-4H3,(H2,13,15).
What are the key properties of 2-[(3-cyano-3-methylbutyl)-propan-2-ylamino]acetamide?
2-[(3-cyano-3-methylbutyl)-propan-2-ylamino]acetamide has a molecular weight of 211.31 g/mol, XLogP of 1.12, 6 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)-propan-2-ylamino]acetamide is sourced from PubChem (CID 65251494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).