4-(3-methylbutylimino)pentan-2-one

C10H19NO — CID 20512966

IUPAC4-(3-methylbutylimino)pentan-2-one
SMILESCC(=O)C/C(C)=N/CCC(C)C
InChIInChI=1S/C10H19NO/c1-8(2)5-6-11-9(3)7-10(4)12/h8H,5-7H2,1-4H3/b11-9+
InChIKeyCDWGBENHVRTOPM-PKNBQFBNSA-N
MW169.27 g/mol
LogP2.47
Rot. Bonds5

About 4-(3-methylbutylimino)pentan-2-one

4-(3-methylbutylimino)pentan-2-one (PubChem CID 20512966) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 4-(3-methylbutylimino)pentan-2-one.

Molecular Properties

Compound Name4-(3-methylbutylimino)pentan-2-one
PubChem CID20512966
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name4-(3-methylbutylimino)pentan-2-one
SMILESCC(=O)C/C(C)=N/CCC(C)C
InChIInChI=1S/C10H19NO/c1-8(2)5-6-11-9(3)7-10(4)12/h8H,5-7H2,1-4H3/b11-9+
InChIKeyCDWGBENHVRTOPM-PKNBQFBNSA-N
XLogP2.47
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(3-methylbutylimino)pentan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Methyl-4-[2-[(3-methyl-4-oxopentan-2-ylidene)amino]ethylimino]pentan-2-one
CID 333937
4-Propyliminohexan-3-one
CID 85789809
4-[4-(4-Oxopentan-2-ylideneamino)butylimino]pentan-2-one
CID 227168
Acetylacetone n-propylimine
CID 18322628
3-Methyl-4-methyliminopentan-2-one
CID 20584279
4-Methyl-3-methyliminopentan-2-one
CID 21675776
4-Pentyliminopentan-2-one
CID 53695587
4-Butan-2-yliminopentan-2-one
CID 53910879
(4E)-4-(Butylimino)pentan-2-one
CID 54432378
2-Methyl-4-[3-[(4-methyl-3-oxopentan-2-ylidene)amino]propylimino]pentan-3-one
CID 57113753
2-Methyl-4-(propan-2-ylideneamino)pentan-3-one
CID 59882695
4-(2-Methylpropylimino)pentan-2-one
CID 85699686

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutylimino)pentan-2-one?
The IUPAC name of 4-(3-methylbutylimino)pentan-2-one (CID 20512966) is 4-(3-methylbutylimino)pentan-2-one.
What is the SMILES notation for 4-(3-methylbutylimino)pentan-2-one?
The canonical SMILES for 4-(3-methylbutylimino)pentan-2-one is CC(=O)C/C(C)=N/CCC(C)C.
What is the InChIKey of 4-(3-methylbutylimino)pentan-2-one?
The InChIKey is CDWGBENHVRTOPM-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H19NO/c1-8(2)5-6-11-9(3)7-10(4)12/h8H,5-7H2,1-4H3/b11-9+.
What are the key properties of 4-(3-methylbutylimino)pentan-2-one?
4-(3-methylbutylimino)pentan-2-one has a molecular weight of 169.27 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutylimino)pentan-2-one is sourced from PubChem (CID 20512966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).