N-(1-aminoethylidene)-2-methylbutanamide

C7H14N2O — CID 123142152

IUPACN-(1-aminoethylidene)-2-methylbutanamide
SMILESCCC(C)C(=O)/N=C(\C)N
InChIInChI=1S/C7H14N2O/c1-4-5(2)7(10)9-6(3)8/h5H,4H2,1-3H3,(H2,8,9,10)
InChIKeyMACBMNRJBMVNOF-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.94
Rot. Bonds2

About N-(1-aminoethylidene)-2-methylbutanamide

N-(1-aminoethylidene)-2-methylbutanamide (PubChem CID 123142152) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is N-(1-aminoethylidene)-2-methylbutanamide.

Molecular Properties

Compound NameN-(1-aminoethylidene)-2-methylbutanamide
PubChem CID123142152
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC NameN-(1-aminoethylidene)-2-methylbutanamide
SMILESCCC(C)C(=O)/N=C(\C)N
InChIInChI=1S/C7H14N2O/c1-4-5(2)7(10)9-6(3)8/h5H,4H2,1-3H3,(H2,8,9,10)
InChIKeyMACBMNRJBMVNOF-UHFFFAOYSA-N
XLogP0.94
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

[(2S)-1-(1-aminoethylideneamino)-1-oxopropan-2-yl] thiocyanate
CID 142354127
methane;2-methylbutanamide
CID 158835184
3,4,5-trimethylhept-3-enamide
CID 123981814
3-methylbutan-2-one;3-methylpentan-2-one
CID 159429251
propyl (2R)-2-methylbutanoate
CID 86306230
4-methyl-3-oxohexanamide
CID 91421150
2-methylbutanamide;oxaldehyde
CID 90898555
(Z)-2-(1-aminoethylideneamino)pent-2-enoic acid
CID 139576680
S-methyl N-(3-methylpentan-2-ylidene)carbamothioate
CID 123144313
2-methylbutanoyloxymethyl 2-methylbutanoate
CID 20789926
3-oxobutan-2-yl 2-methylbutanoate
CID 59653814
ethane;ethyl 2-methylbutanoate
CID 144747106

Frequently Asked Questions

What is the IUPAC name of N-(1-aminoethylidene)-2-methylbutanamide?
The IUPAC name of N-(1-aminoethylidene)-2-methylbutanamide (CID 123142152) is N-(1-aminoethylidene)-2-methylbutanamide.
What is the SMILES notation for N-(1-aminoethylidene)-2-methylbutanamide?
The canonical SMILES for N-(1-aminoethylidene)-2-methylbutanamide is CCC(C)C(=O)/N=C(\C)N.
What is the InChIKey of N-(1-aminoethylidene)-2-methylbutanamide?
The InChIKey is MACBMNRJBMVNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-4-5(2)7(10)9-6(3)8/h5H,4H2,1-3H3,(H2,8,9,10).
What are the key properties of N-(1-aminoethylidene)-2-methylbutanamide?
N-(1-aminoethylidene)-2-methylbutanamide has a molecular weight of 142.20 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminoethylidene)-2-methylbutanamide is sourced from PubChem (CID 123142152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).