2-[(3-cyano-3-methylbutyl)-methylamino]-N,N-diethylacetamide

C13H25N3O — CID 56795398

IUPAC2-[(3-cyano-3-methylbutyl)-methylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)CCC(C)(C)C#N
InChIInChI=1S/C13H25N3O/c1-6-16(7-2)12(17)10-15(5)9-8-13(3,4)11-14/h6-10H2,1-5H3
InChIKeyJWMCARLSQQRSCU-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.73
Rot. Bonds7

About 2-[(3-cyano-3-methylbutyl)-methylamino]-N,N-diethylacetamide

2-[(3-cyano-3-methylbutyl)-methylamino]-N,N-diethylacetamide (PubChem CID 56795398) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-[(3-cyano-3-methylbutyl)-methylamino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[(3-cyano-3-methylbutyl)-methylamino]-N,N-diethylacetamide
PubChem CID56795398
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-[(3-cyano-3-methylbutyl)-methylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)CCC(C)(C)C#N
InChIInChI=1S/C13H25N3O/c1-6-16(7-2)12(17)10-15(5)9-8-13(3,4)11-14/h6-10H2,1-5H3
InChIKeyJWMCARLSQQRSCU-UHFFFAOYSA-N
XLogP1.73
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-3-methylbutyl)-methylamino]-N,N-diethylacetamide?
The IUPAC name of 2-[(3-cyano-3-methylbutyl)-methylamino]-N,N-diethylacetamide (CID 56795398) is 2-[(3-cyano-3-methylbutyl)-methylamino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[(3-cyano-3-methylbutyl)-methylamino]-N,N-diethylacetamide?
The canonical SMILES for 2-[(3-cyano-3-methylbutyl)-methylamino]-N,N-diethylacetamide is CCN(CC)C(=O)CN(C)CCC(C)(C)C#N.
What is the InChIKey of 2-[(3-cyano-3-methylbutyl)-methylamino]-N,N-diethylacetamide?
The InChIKey is JWMCARLSQQRSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-6-16(7-2)12(17)10-15(5)9-8-13(3,4)11-14/h6-10H2,1-5H3.
What are the key properties of 2-[(3-cyano-3-methylbutyl)-methylamino]-N,N-diethylacetamide?
2-[(3-cyano-3-methylbutyl)-methylamino]-N,N-diethylacetamide has a molecular weight of 239.36 g/mol, XLogP of 1.73, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyano-3-methylbutyl)-methylamino]-N,N-diethylacetamide is sourced from PubChem (CID 56795398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).