2,4-dimethyl-1-methyliminopentan-3-one

C8H15NO — CID 123717051

IUPAC2,4-dimethyl-1-methyliminopentan-3-one
SMILESC/N=C/C(C)C(=O)C(C)C
InChIInChI=1S/C8H15NO/c1-6(2)8(10)7(3)5-9-4/h5-7H,1-4H3/b9-5+
InChIKeyXRGANXIJPNWXKV-WEVVVXLNSA-N
MW141.21 g/mol
LogP1.55
Rot. Bonds3

About 2,4-dimethyl-1-methyliminopentan-3-one

2,4-dimethyl-1-methyliminopentan-3-one (PubChem CID 123717051) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2,4-dimethyl-1-methyliminopentan-3-one.

Molecular Properties

Compound Name2,4-dimethyl-1-methyliminopentan-3-one
PubChem CID123717051
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2,4-dimethyl-1-methyliminopentan-3-one
SMILESC/N=C/C(C)C(=O)C(C)C
InChIInChI=1S/C8H15NO/c1-6(2)8(10)7(3)5-9-4/h5-7H,1-4H3/b9-5+
InChIKeyXRGANXIJPNWXKV-WEVVVXLNSA-N
XLogP1.55
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5,5,5-Trifluoro-4-(methyliminomethyl)pentan-2-one
CID 123532912
4-Methyl-1-[2-[(4-methyl-3-oxopentylidene)amino]ethylimino]pentan-3-one
CID 18322592
1-Imino-2-methylpentan-3-one
CID 74515597
2-Methyl-1-methyliminopentan-3-one
CID 91354266
5-methyl-4,5-dihydro-2H-pyridin-3-one
CID 91467008
1-Imino-4-methylpentan-3-one
CID 118297401
2-Methyl-7-(2-methylpropylimino)heptan-3-one
CID 122676926
3-Ethylimino-4-methylpentan-2-one
CID 123801553
5-(trideuteriomethyl)-3,5-dihydro-2H-pyridin-4-one
CID 130298979
3-(2-Methyliminoethyl)hexan-2-one
CID 142018323
(4,4-Dimethyl-2-oxopentylidene)-methylideneazanium
CID 147462942
1-(2H-imidazol-4-yl)-2-methylpropan-1-one
CID 148661678

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-methyliminopentan-3-one?
The IUPAC name of 2,4-dimethyl-1-methyliminopentan-3-one (CID 123717051) is 2,4-dimethyl-1-methyliminopentan-3-one.
What is the SMILES notation for 2,4-dimethyl-1-methyliminopentan-3-one?
The canonical SMILES for 2,4-dimethyl-1-methyliminopentan-3-one is C/N=C/C(C)C(=O)C(C)C.
What is the InChIKey of 2,4-dimethyl-1-methyliminopentan-3-one?
The InChIKey is XRGANXIJPNWXKV-WEVVVXLNSA-N. The full InChI is InChI=1S/C8H15NO/c1-6(2)8(10)7(3)5-9-4/h5-7H,1-4H3/b9-5+.
What are the key properties of 2,4-dimethyl-1-methyliminopentan-3-one?
2,4-dimethyl-1-methyliminopentan-3-one has a molecular weight of 141.21 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-methyliminopentan-3-one is sourced from PubChem (CID 123717051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).