2-methyl-N-(4-methylpentan-2-ylideneamino)propanamide

C10H20N2O — CID 54221156

IUPAC2-methyl-N-(4-methylpentan-2-ylideneamino)propanamide
SMILESCC(CC(C)C)=NNC(=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)
InChIKeyQCRUTZQKCGELCC-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.18
Rot. Bonds4

About 2-methyl-N-(4-methylpentan-2-ylideneamino)propanamide

2-methyl-N-(4-methylpentan-2-ylideneamino)propanamide (PubChem CID 54221156) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-methyl-N-(4-methylpentan-2-ylideneamino)propanamide.

Molecular Properties

Compound Name2-methyl-N-(4-methylpentan-2-ylideneamino)propanamide
PubChem CID54221156
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name2-methyl-N-(4-methylpentan-2-ylideneamino)propanamide
SMILESCC(CC(C)C)=NNC(=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)
InChIKeyQCRUTZQKCGELCC-UHFFFAOYSA-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-(4-methylpentan-2-ylideneamino)propanamide?
The IUPAC name of 2-methyl-N-(4-methylpentan-2-ylideneamino)propanamide (CID 54221156) is 2-methyl-N-(4-methylpentan-2-ylideneamino)propanamide.
What is the SMILES notation for 2-methyl-N-(4-methylpentan-2-ylideneamino)propanamide?
The canonical SMILES for 2-methyl-N-(4-methylpentan-2-ylideneamino)propanamide is CC(CC(C)C)=NNC(=O)C(C)C.
What is the InChIKey of 2-methyl-N-(4-methylpentan-2-ylideneamino)propanamide?
The InChIKey is QCRUTZQKCGELCC-UHFFFAOYSA-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).
What are the key properties of 2-methyl-N-(4-methylpentan-2-ylideneamino)propanamide?
2-methyl-N-(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-(4-methylpentan-2-ylideneamino)propanamide is sourced from PubChem (CID 54221156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).