N-ethylidene-2-methylbutanamide

C7H13NO — CID 20716715

IUPACN-ethylidene-2-methylbutanamide
SMILESC/C=N/C(=O)C(C)CC
InChIInChI=1S/C7H13NO/c1-4-6(3)7(9)8-5-2/h5-6H,4H2,1-3H3/b8-5+
InChIKeyJQHIXZWIPKWAHU-VMPITWQZSA-N
MW127.19 g/mol
LogP1.65
Rot. Bonds2

About N-ethylidene-2-methylbutanamide

N-ethylidene-2-methylbutanamide (PubChem CID 20716715) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is N-ethylidene-2-methylbutanamide.

Molecular Properties

Compound NameN-ethylidene-2-methylbutanamide
PubChem CID20716715
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC NameN-ethylidene-2-methylbutanamide
SMILESC/C=N/C(=O)C(C)CC
InChIInChI=1S/C7H13NO/c1-4-6(3)7(9)8-5-2/h5-6H,4H2,1-3H3/b8-5+
InChIKeyJQHIXZWIPKWAHU-VMPITWQZSA-N
XLogP1.65
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.65
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-methyl-N-methylidenebutanamide
CID 18737273
2,3-dimethyl-N-methylidenebutanamide
CID 20642804
N-ethylidene-2,2-dimethylbutanamide
CID 20716713
2-methyl-1-(4H-triazol-1-ium-1-yl)butan-1-one
CID 20725320
N-butylidenecyclopropanecarboxamide
CID 56976911
N-ethylidenecyclopropanecarboxamide
CID 57075754
3-methyl-4,5-dihydro-3H-pyridin-2-one
CID 57121914
N-propylidenecyclopropanecarboxamide
CID 57263406
(3R)-3-propan-2-yl-3H-azet-2-one
CID 58112528
4-formylimino-2-methyl-N-propylidenebutanamide
CID 87995080
(5S)-5-methyl-4,5-dihydro-3H-pyridin-2-one
CID 89024010
N-ethylidenebutanamide
CID 89371556

Frequently Asked Questions

What is the IUPAC name of N-ethylidene-2-methylbutanamide?
The IUPAC name of N-ethylidene-2-methylbutanamide (CID 20716715) is N-ethylidene-2-methylbutanamide.
What is the SMILES notation for N-ethylidene-2-methylbutanamide?
The canonical SMILES for N-ethylidene-2-methylbutanamide is C/C=N/C(=O)C(C)CC.
What is the InChIKey of N-ethylidene-2-methylbutanamide?
The InChIKey is JQHIXZWIPKWAHU-VMPITWQZSA-N. The full InChI is InChI=1S/C7H13NO/c1-4-6(3)7(9)8-5-2/h5-6H,4H2,1-3H3/b8-5+.
What are the key properties of N-ethylidene-2-methylbutanamide?
N-ethylidene-2-methylbutanamide has a molecular weight of 127.19 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylidene-2-methylbutanamide is sourced from PubChem (CID 20716715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).