3-methyl-2-oxohexanimidamide

C7H14N2O — CID 141053375

IUPAC3-methyl-2-oxohexanimidamide
SMILES[H]/N=C(\N)C(=O)C(C)CCC
InChIInChI=1S/C7H14N2O/c1-3-4-5(2)6(10)7(8)9/h5H,3-4H2,1-2H3,(H3,8,9)
InChIKeyPCJKCMRFDVDLRE-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.93
Rot. Bonds4

About 3-methyl-2-oxohexanimidamide

3-methyl-2-oxohexanimidamide (PubChem CID 141053375) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 3-methyl-2-oxohexanimidamide.

Molecular Properties

Compound Name3-methyl-2-oxohexanimidamide
PubChem CID141053375
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name3-methyl-2-oxohexanimidamide
SMILES[H]/N=C(\N)C(=O)C(C)CCC
InChIInChI=1S/C7H14N2O/c1-3-4-5(2)6(10)7(8)9/h5H,3-4H2,1-2H3,(H3,8,9)
InChIKeyPCJKCMRFDVDLRE-UHFFFAOYSA-N
XLogP0.93
TPSA66.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-methyl-2-oxohexanamide
CID 145466724
4-methyl-2-oxo-3-propan-2-ylpentanimidamide
CID 141195959
3-amino-2-oxobutanimidamide
CID 140996004
(3S)-3-methylhexan-2-imine
CID 149359557
4-methylheptan-3-imine
CID 149092868
(6S)-4,6-dimethylnonan-5-one
CID 177467625
2,2,5-trimethyloctane-3,4-dione
CID 11191887
2-(propan-2-ylsulfamoylamino)pentanimidamide
CID 114813355
neodymium;tris(2,2,5-trimethyloctane-3,4-dione)
CID 175833712
λ2-plumbane;bis(2,2,5-trimethyloctane-3,4-dione)
CID 173200803
ethane;3-methyl-2-methylidenehexanamide
CID 145466339
(4R)-4-methylheptan-3-one
CID 12696684

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-oxohexanimidamide?
The IUPAC name of 3-methyl-2-oxohexanimidamide (CID 141053375) is 3-methyl-2-oxohexanimidamide.
What is the SMILES notation for 3-methyl-2-oxohexanimidamide?
The canonical SMILES for 3-methyl-2-oxohexanimidamide is [H]/N=C(\N)C(=O)C(C)CCC.
What is the InChIKey of 3-methyl-2-oxohexanimidamide?
The InChIKey is PCJKCMRFDVDLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-3-4-5(2)6(10)7(8)9/h5H,3-4H2,1-2H3,(H3,8,9).
What are the key properties of 3-methyl-2-oxohexanimidamide?
3-methyl-2-oxohexanimidamide has a molecular weight of 142.20 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-oxohexanimidamide is sourced from PubChem (CID 141053375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).