N-ethylidene-2,2-dimethylbutanamide

C8H15NO — CID 20716713

IUPACN-ethylidene-2,2-dimethylbutanamide
SMILESC/C=N/C(=O)C(C)(C)CC
InChIInChI=1S/C8H15NO/c1-5-8(3,4)7(10)9-6-2/h6H,5H2,1-4H3/b9-6+
InChIKeyOAWIOHAFNBZBRO-RMKNXTFCSA-N
MW141.21 g/mol
LogP2.04
Rot. Bonds2

About N-ethylidene-2,2-dimethylbutanamide

N-ethylidene-2,2-dimethylbutanamide (PubChem CID 20716713) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is N-ethylidene-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-ethylidene-2,2-dimethylbutanamide
PubChem CID20716713
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC NameN-ethylidene-2,2-dimethylbutanamide
SMILESC/C=N/C(=O)C(C)(C)CC
InChIInChI=1S/C8H15NO/c1-5-8(3,4)7(10)9-6-2/h6H,5H2,1-4H3/b9-6+
InChIKeyOAWIOHAFNBZBRO-RMKNXTFCSA-N
XLogP2.04
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-N-methylidenebutanamide
CID 18737269
N-ethylidene-2-methylbutanamide
CID 20716715
2,2-dimethyl-N-propylidenepropanamide
CID 58485285
3,3-dimethyl-N-methylidenebutanamide
CID 88267046
N-ethylidenebutanamide
CID 89371556
N-ethylidene-2,2-dimethylpropanamide
CID 117694576
4,4-dimethyl-3H-pyrrol-5-one
CID 141265281
4,4-dimethyl-3H-pyrrol-2-one
CID 141265303
4-ethyl-4-methyl-3H-pyrrol-5-one
CID 152048804
2,2-dimethyl-N-methylidenebutanamide;methane
CID 158174001
2,2-Dimethylbutanamide;imidazol-2-one
CID 158874669
ethane;N-ethylidene-2,2-dimethylpropanamide
CID 169000852

Frequently Asked Questions

What is the IUPAC name of N-ethylidene-2,2-dimethylbutanamide?
The IUPAC name of N-ethylidene-2,2-dimethylbutanamide (CID 20716713) is N-ethylidene-2,2-dimethylbutanamide.
What is the SMILES notation for N-ethylidene-2,2-dimethylbutanamide?
The canonical SMILES for N-ethylidene-2,2-dimethylbutanamide is C/C=N/C(=O)C(C)(C)CC.
What is the InChIKey of N-ethylidene-2,2-dimethylbutanamide?
The InChIKey is OAWIOHAFNBZBRO-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H15NO/c1-5-8(3,4)7(10)9-6-2/h6H,5H2,1-4H3/b9-6+.
What are the key properties of N-ethylidene-2,2-dimethylbutanamide?
N-ethylidene-2,2-dimethylbutanamide has a molecular weight of 141.21 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylidene-2,2-dimethylbutanamide is sourced from PubChem (CID 20716713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).