N-(3-methylbutylideneamino)acetamide

C7H14N2O — CID 57351099

IUPACN-(3-methylbutylideneamino)acetamide
SMILESCC(=O)NN=CCC(C)C
InChIInChI=1S/C7H14N2O/c1-6(2)4-5-8-9-7(3)10/h5-6H,4H2,1-3H3,(H,9,10)
InChIKeyMTJPZGYHKCUUCI-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.15
Rot. Bonds3

About N-(3-methylbutylideneamino)acetamide

N-(3-methylbutylideneamino)acetamide (PubChem CID 57351099) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is N-(3-methylbutylideneamino)acetamide.

Molecular Properties

Compound NameN-(3-methylbutylideneamino)acetamide
PubChem CID57351099
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC NameN-(3-methylbutylideneamino)acetamide
SMILESCC(=O)NN=CCC(C)C
InChIInChI=1S/C7H14N2O/c1-6(2)4-5-8-9-7(3)10/h5-6H,4H2,1-3H3,(H,9,10)
InChIKeyMTJPZGYHKCUUCI-UHFFFAOYSA-N
XLogP1.15
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Methyl-2-pyrazolin-5-one
CID 98935
N'-[(E)-2-ethylbutylideneamino]oxamide
CID 9680866
N'-[(1E)-2-methylpropylidene]cyclopropanecarbohydrazide
CID 9606481
N-[(E)-2,2-dimethylpropylideneamino]acetamide
CID 11389440
5-methyl-4,5-dihydro-3(2H)pyridazinone
CID 21479294
N-(ethylideneamino)acetamide
CID 57976624
Acetic acid isobutylidene-hydrazide
CID 519289
Acethydrazide, N2-(1,2-dimethylpropylideno)-
CID 9602428
4-Methyl-4,5-dihydropyridazin-3(2H)-one
CID 21479290
Pentanal methylformyl-hydrazone
CID 59751852
2,2,2-trifluoro-N-[(E)-3-methylbutylideneamino]acetamide
CID 133664537
2,2,2-trifluoro-N-[(E)-2-methylbutylideneamino]acetamide
CID 133673006

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutylideneamino)acetamide?
The IUPAC name of N-(3-methylbutylideneamino)acetamide (CID 57351099) is N-(3-methylbutylideneamino)acetamide.
What is the SMILES notation for N-(3-methylbutylideneamino)acetamide?
The canonical SMILES for N-(3-methylbutylideneamino)acetamide is CC(=O)NN=CCC(C)C.
What is the InChIKey of N-(3-methylbutylideneamino)acetamide?
The InChIKey is MTJPZGYHKCUUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-6(2)4-5-8-9-7(3)10/h5-6H,4H2,1-3H3,(H,9,10).
What are the key properties of N-(3-methylbutylideneamino)acetamide?
N-(3-methylbutylideneamino)acetamide has a molecular weight of 142.20 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutylideneamino)acetamide is sourced from PubChem (CID 57351099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).