N-(1-amino-3-methylbutylidene)acetamide

C7H14N2O — CID 123457650

IUPACN-(1-amino-3-methylbutylidene)acetamide
SMILESCC(=O)/N=C(/N)CC(C)C
InChIInChI=1S/C7H14N2O/c1-5(2)4-7(8)9-6(3)10/h5H,4H2,1-3H3,(H2,8,9,10)
InChIKeyHATLYDRPIIXGTH-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.94
Rot. Bonds2

About N-(1-amino-3-methylbutylidene)acetamide

N-(1-amino-3-methylbutylidene)acetamide (PubChem CID 123457650) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is N-(1-amino-3-methylbutylidene)acetamide.

Molecular Properties

Compound NameN-(1-amino-3-methylbutylidene)acetamide
PubChem CID123457650
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC NameN-(1-amino-3-methylbutylidene)acetamide
SMILESCC(=O)/N=C(/N)CC(C)C
InChIInChI=1S/C7H14N2O/c1-5(2)4-7(8)9-6(3)10/h5H,4H2,1-3H3,(H2,8,9,10)
InChIKeyHATLYDRPIIXGTH-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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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-methylbutylidene)acetamide?
The IUPAC name of N-(1-amino-3-methylbutylidene)acetamide (CID 123457650) is N-(1-amino-3-methylbutylidene)acetamide.
What is the SMILES notation for N-(1-amino-3-methylbutylidene)acetamide?
The canonical SMILES for N-(1-amino-3-methylbutylidene)acetamide is CC(=O)/N=C(/N)CC(C)C.
What is the InChIKey of N-(1-amino-3-methylbutylidene)acetamide?
The InChIKey is HATLYDRPIIXGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-5(2)4-7(8)9-6(3)10/h5H,4H2,1-3H3,(H2,8,9,10).
What are the key properties of N-(1-amino-3-methylbutylidene)acetamide?
N-(1-amino-3-methylbutylidene)acetamide 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-amino-3-methylbutylidene)acetamide is sourced from PubChem (CID 123457650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).