2-methyl-N-[(E)-4-methylpentan-2-ylideneamino]propanamide

C10H20N2O — CID 22613547

IUPAC2-methyl-N-[(E)-4-methylpentan-2-ylideneamino]propanamide
SMILESC/C(CC(C)C)=N\NC(=O)C(C)C
InChIInChI=1S/C10H20N2O/c1-7(2)6-9(5)11-12-10(13)8(3)4/h7-8H,6H2,1-5H3,(H,12,13)/b11-9+
InChIKeyQCRUTZQKCGELCC-PKNBQFBNSA-N
MW184.28 g/mol
LogP2.18
Rot. Bonds4

About 2-methyl-N-[(E)-4-methylpentan-2-ylideneamino]propanamide

2-methyl-N-[(E)-4-methylpentan-2-ylideneamino]propanamide (PubChem CID 22613547) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-methyl-N-[(E)-4-methylpentan-2-ylideneamino]propanamide.

Molecular Properties

Compound Name2-methyl-N-[(E)-4-methylpentan-2-ylideneamino]propanamide
PubChem CID22613547
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name2-methyl-N-[(E)-4-methylpentan-2-ylideneamino]propanamide
SMILESC/C(CC(C)C)=N\NC(=O)C(C)C
InChIInChI=1S/C10H20N2O/c1-7(2)6-9(5)11-12-10(13)8(3)4/h7-8H,6H2,1-5H3,(H,12,13)/b11-9+
InChIKeyQCRUTZQKCGELCC-PKNBQFBNSA-N
XLogP2.18
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.18
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)-4-methylpentan-2-ylideneamino]propanamide?
The IUPAC name of 2-methyl-N-[(E)-4-methylpentan-2-ylideneamino]propanamide (CID 22613547) is 2-methyl-N-[(E)-4-methylpentan-2-ylideneamino]propanamide.
What is the SMILES notation for 2-methyl-N-[(E)-4-methylpentan-2-ylideneamino]propanamide?
The canonical SMILES for 2-methyl-N-[(E)-4-methylpentan-2-ylideneamino]propanamide is C/C(CC(C)C)=N\NC(=O)C(C)C.
What is the InChIKey of 2-methyl-N-[(E)-4-methylpentan-2-ylideneamino]propanamide?
The InChIKey is QCRUTZQKCGELCC-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H20N2O/c1-7(2)6-9(5)11-12-10(13)8(3)4/h7-8H,6H2,1-5H3,(H,12,13)/b11-9+.
What are the key properties of 2-methyl-N-[(E)-4-methylpentan-2-ylideneamino]propanamide?
2-methyl-N-[(E)-4-methylpentan-2-ylideneamino]propanamide has a molecular weight of 184.28 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(E)-4-methylpentan-2-ylideneamino]propanamide is sourced from PubChem (CID 22613547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).