ethane;N-ethylidene-2,2-dimethylpropanamide

C9H19NO — CID 169000852

IUPACethane;N-ethylidene-2,2-dimethylpropanamide
SMILESC/C=N/C(=O)C(C)(C)C.CC
InChIInChI=1S/C7H13NO.C2H6/c1-5-8-6(9)7(2,3)4;1-2/h5H,1-4H3;1-2H3/b8-5+;
InChIKeyUMQIVGYXYTVFCS-HAAWTFQLSA-N
MW157.26 g/mol
LogP2.68
Rot. Bonds

About ethane;N-ethylidene-2,2-dimethylpropanamide

ethane;N-ethylidene-2,2-dimethylpropanamide (PubChem CID 169000852) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is ethane;N-ethylidene-2,2-dimethylpropanamide.

Molecular Properties

Compound Nameethane;N-ethylidene-2,2-dimethylpropanamide
PubChem CID169000852
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Nameethane;N-ethylidene-2,2-dimethylpropanamide
SMILESC/C=N/C(=O)C(C)(C)C.CC
InChIInChI=1S/C7H13NO.C2H6/c1-5-8-6(9)7(2,3)4;1-2/h5H,1-4H3;1-2H3/b8-5+;
InChIKeyUMQIVGYXYTVFCS-HAAWTFQLSA-N
XLogP2.68
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;N-ethylidene-2,2-dimethylpropanamide?
The IUPAC name of ethane;N-ethylidene-2,2-dimethylpropanamide (CID 169000852) is ethane;N-ethylidene-2,2-dimethylpropanamide.
What is the SMILES notation for ethane;N-ethylidene-2,2-dimethylpropanamide?
The canonical SMILES for ethane;N-ethylidene-2,2-dimethylpropanamide is C/C=N/C(=O)C(C)(C)C.CC.
What is the InChIKey of ethane;N-ethylidene-2,2-dimethylpropanamide?
The InChIKey is UMQIVGYXYTVFCS-HAAWTFQLSA-N. The full InChI is InChI=1S/C7H13NO.C2H6/c1-5-8-6(9)7(2,3)4;1-2/h5H,1-4H3;1-2H3/b8-5+;.
What are the key properties of ethane;N-ethylidene-2,2-dimethylpropanamide?
ethane;N-ethylidene-2,2-dimethylpropanamide has a molecular weight of 157.26 g/mol, XLogP of 2.68, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethylidene-2,2-dimethylpropanamide is sourced from PubChem (CID 169000852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).