2-methyl-N-[(E)-3-methylbutan-2-ylideneamino]propanamide

C9H18N2O — CID 45122994

IUPAC2-methyl-N-[(E)-3-methylbutan-2-ylideneamino]propanamide
SMILESC/C(=N\NC(=O)C(C)C)C(C)C
InChIInChI=1S/C9H18N2O/c1-6(2)8(5)10-11-9(12)7(3)4/h6-7H,1-5H3,(H,11,12)/b10-8+
InChIKeyYYIUWIVTPIVXRI-CSKARUKUSA-N
MW170.26 g/mol
LogP1.79
Rot. Bonds3

About 2-methyl-N-[(E)-3-methylbutan-2-ylideneamino]propanamide

2-methyl-N-[(E)-3-methylbutan-2-ylideneamino]propanamide (PubChem CID 45122994) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 2-methyl-N-[(E)-3-methylbutan-2-ylideneamino]propanamide.

Molecular Properties

Compound Name2-methyl-N-[(E)-3-methylbutan-2-ylideneamino]propanamide
PubChem CID45122994
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name2-methyl-N-[(E)-3-methylbutan-2-ylideneamino]propanamide
SMILESC/C(=N\NC(=O)C(C)C)C(C)C
InChIInChI=1S/C9H18N2O/c1-6(2)8(5)10-11-9(12)7(3)4/h6-7H,1-5H3,(H,11,12)/b10-8+
InChIKeyYYIUWIVTPIVXRI-CSKARUKUSA-N
XLogP1.79
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.79
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(E)-3-methylbutan-2-ylideneamino]propanamide?
The IUPAC name of 2-methyl-N-[(E)-3-methylbutan-2-ylideneamino]propanamide (CID 45122994) is 2-methyl-N-[(E)-3-methylbutan-2-ylideneamino]propanamide.
What is the SMILES notation for 2-methyl-N-[(E)-3-methylbutan-2-ylideneamino]propanamide?
The canonical SMILES for 2-methyl-N-[(E)-3-methylbutan-2-ylideneamino]propanamide is C/C(=N\NC(=O)C(C)C)C(C)C.
What is the InChIKey of 2-methyl-N-[(E)-3-methylbutan-2-ylideneamino]propanamide?
The InChIKey is YYIUWIVTPIVXRI-CSKARUKUSA-N. The full InChI is InChI=1S/C9H18N2O/c1-6(2)8(5)10-11-9(12)7(3)4/h6-7H,1-5H3,(H,11,12)/b10-8+.
What are the key properties of 2-methyl-N-[(E)-3-methylbutan-2-ylideneamino]propanamide?
2-methyl-N-[(E)-3-methylbutan-2-ylideneamino]propanamide has a molecular weight of 170.26 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(E)-3-methylbutan-2-ylideneamino]propanamide is sourced from PubChem (CID 45122994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).