4-(3-aminobutan-2-ylimino)-3-methylpentan-2-one

C10H20N2O — CID 59873197

IUPAC4-(3-aminobutan-2-ylimino)-3-methylpentan-2-one
SMILESCC(=O)C(C)/C(C)=N/C(C)C(C)N
InChIInChI=1S/C10H20N2O/c1-6(10(5)13)8(3)12-9(4)7(2)11/h6-7,9H,11H2,1-5H3/b12-8+
InChIKeyGIRJKENONNWCPA-XYOKQWHBSA-N
MW184.28 g/mol
LogP1.41
Rot. Bonds4

About 4-(3-aminobutan-2-ylimino)-3-methylpentan-2-one

4-(3-aminobutan-2-ylimino)-3-methylpentan-2-one (PubChem CID 59873197) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 4-(3-aminobutan-2-ylimino)-3-methylpentan-2-one.

Molecular Properties

Compound Name4-(3-aminobutan-2-ylimino)-3-methylpentan-2-one
PubChem CID59873197
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name4-(3-aminobutan-2-ylimino)-3-methylpentan-2-one
SMILESCC(=O)C(C)/C(C)=N/C(C)C(C)N
InChIInChI=1S/C10H20N2O/c1-6(10(5)13)8(3)12-9(4)7(2)11/h6-7,9H,11H2,1-5H3/b12-8+
InChIKeyGIRJKENONNWCPA-XYOKQWHBSA-N
XLogP1.41
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Methyl-4-[2-[(3-methyl-4-oxopentan-2-ylidene)amino]ethylimino]pentan-2-one
CID 333937
4-(3-Aminopropylimino)-3-methyl-5-methyliminopentan-2-one
CID 123588525
4-(2-Aminoethylimino)pentan-2-one;ethane
CID 144821709
(3R)-3-methyl-4-[2-[[(3S)-3-methyl-4-oxopentan-2-ylidene]amino]ethylimino]pentan-2-one
CID 92764387
5-(2-Aminoethylimino)hexan-2-one
CID 145295985

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminobutan-2-ylimino)-3-methylpentan-2-one?
The IUPAC name of 4-(3-aminobutan-2-ylimino)-3-methylpentan-2-one (CID 59873197) is 4-(3-aminobutan-2-ylimino)-3-methylpentan-2-one.
What is the SMILES notation for 4-(3-aminobutan-2-ylimino)-3-methylpentan-2-one?
The canonical SMILES for 4-(3-aminobutan-2-ylimino)-3-methylpentan-2-one is CC(=O)C(C)/C(C)=N/C(C)C(C)N.
What is the InChIKey of 4-(3-aminobutan-2-ylimino)-3-methylpentan-2-one?
The InChIKey is GIRJKENONNWCPA-XYOKQWHBSA-N. The full InChI is InChI=1S/C10H20N2O/c1-6(10(5)13)8(3)12-9(4)7(2)11/h6-7,9H,11H2,1-5H3/b12-8+.
What are the key properties of 4-(3-aminobutan-2-ylimino)-3-methylpentan-2-one?
4-(3-aminobutan-2-ylimino)-3-methylpentan-2-one has a molecular weight of 184.28 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminobutan-2-ylimino)-3-methylpentan-2-one is sourced from PubChem (CID 59873197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).