4-[2,2-dimethyl-3-(4-oxopentan-2-ylideneamino)propyl]iminopentan-2-one

C15H26N2O2 — CID 102431896

IUPAC4-[2,2-dimethyl-3-(4-oxopentan-2-ylideneamino)propyl]iminopentan-2-one
SMILESCC(=O)C/C(C)=N/CC(C)(C)C/N=C(\C)CC(C)=O
InChIInChI=1S/C15H26N2O2/c1-11(7-13(3)18)16-9-15(5,6)10-17-12(2)8-14(4)19/h7-10H2,1-6H3/b16-11+,17-12+
InChIKeyHSXXFBHNWHEZAT-MAEUFBSDSA-N
MW266.38 g/mol
LogP2.89
Rot. Bonds8

About 4-[2,2-dimethyl-3-(4-oxopentan-2-ylideneamino)propyl]iminopentan-2-one

4-[2,2-dimethyl-3-(4-oxopentan-2-ylideneamino)propyl]iminopentan-2-one (PubChem CID 102431896) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 4-[2,2-dimethyl-3-(4-oxopentan-2-ylideneamino)propyl]iminopentan-2-one.

Molecular Properties

Compound Name4-[2,2-dimethyl-3-(4-oxopentan-2-ylideneamino)propyl]iminopentan-2-one
PubChem CID102431896
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name4-[2,2-dimethyl-3-(4-oxopentan-2-ylideneamino)propyl]iminopentan-2-one
SMILESCC(=O)C/C(C)=N/CC(C)(C)C/N=C(\C)CC(C)=O
InChIInChI=1S/C15H26N2O2/c1-11(7-13(3)18)16-9-15(5,6)10-17-12(2)8-14(4)19/h7-10H2,1-6H3/b16-11+,17-12+
InChIKeyHSXXFBHNWHEZAT-MAEUFBSDSA-N
XLogP2.89
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(3-aminopropylimino)pentan-2-one
CID 91484277
Lithium pentane-2,4-dione
CID 86735745
4-[4-benzylsulfanyl-2-methyl-2-(4-oxopentan-2-ylideneamino)butyl]iminopentan-2-one
CID 139978067
CID 159548628
CID 159548628
CID 87073525
CID 87073525
ethane;tris(pentane-2,4-dione)
CID 158826280
molybdenum(4+);tetrakis(pentane-2,4-dione)
CID 11705952
barium(2+);pentane-2,4-dione
CID 23298949
potassium pentane-2,4-dione
CID 19762724
CID 15855332
CID 15855332
nickel;pentane-2,4-dione
CID 158705791
silver pentane-2,4-dione
CID 21252539

Frequently Asked Questions

What is the IUPAC name of 4-[2,2-dimethyl-3-(4-oxopentan-2-ylideneamino)propyl]iminopentan-2-one?
The IUPAC name of 4-[2,2-dimethyl-3-(4-oxopentan-2-ylideneamino)propyl]iminopentan-2-one (CID 102431896) is 4-[2,2-dimethyl-3-(4-oxopentan-2-ylideneamino)propyl]iminopentan-2-one.
What is the SMILES notation for 4-[2,2-dimethyl-3-(4-oxopentan-2-ylideneamino)propyl]iminopentan-2-one?
The canonical SMILES for 4-[2,2-dimethyl-3-(4-oxopentan-2-ylideneamino)propyl]iminopentan-2-one is CC(=O)C/C(C)=N/CC(C)(C)C/N=C(\C)CC(C)=O.
What is the InChIKey of 4-[2,2-dimethyl-3-(4-oxopentan-2-ylideneamino)propyl]iminopentan-2-one?
The InChIKey is HSXXFBHNWHEZAT-MAEUFBSDSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-11(7-13(3)18)16-9-15(5,6)10-17-12(2)8-14(4)19/h7-10H2,1-6H3/b16-11+,17-12+.
What are the key properties of 4-[2,2-dimethyl-3-(4-oxopentan-2-ylideneamino)propyl]iminopentan-2-one?
4-[2,2-dimethyl-3-(4-oxopentan-2-ylideneamino)propyl]iminopentan-2-one has a molecular weight of 266.38 g/mol, XLogP of 2.89, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,2-dimethyl-3-(4-oxopentan-2-ylideneamino)propyl]iminopentan-2-one is sourced from PubChem (CID 102431896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).