4,4-dimethyl-3-oxopentanimidamide

C7H14N2O — CID 71322397

IUPAC4,4-dimethyl-3-oxopentanimidamide
SMILES[H]/N=C(\N)CC(=O)C(C)(C)C
InChIInChI=1S/C7H14N2O/c1-7(2,3)5(10)4-6(8)9/h4H2,1-3H3,(H3,8,9)
InChIKeyMWEKVTYHYGFVKZ-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.93
Rot. Bonds2

About 4,4-dimethyl-3-oxopentanimidamide

4,4-dimethyl-3-oxopentanimidamide (PubChem CID 71322397) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 4,4-dimethyl-3-oxopentanimidamide.

Molecular Properties

Compound Name4,4-dimethyl-3-oxopentanimidamide
PubChem CID71322397
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name4,4-dimethyl-3-oxopentanimidamide
SMILES[H]/N=C(\N)CC(=O)C(C)(C)C
InChIInChI=1S/C7H14N2O/c1-7(2,3)5(10)4-6(8)9/h4H2,1-3H3,(H3,8,9)
InChIKeyMWEKVTYHYGFVKZ-UHFFFAOYSA-N
XLogP0.93
TPSA66.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-oxopentanimidamide?
The IUPAC name of 4,4-dimethyl-3-oxopentanimidamide (CID 71322397) is 4,4-dimethyl-3-oxopentanimidamide.
What is the SMILES notation for 4,4-dimethyl-3-oxopentanimidamide?
The canonical SMILES for 4,4-dimethyl-3-oxopentanimidamide is [H]/N=C(\N)CC(=O)C(C)(C)C.
What is the InChIKey of 4,4-dimethyl-3-oxopentanimidamide?
The InChIKey is MWEKVTYHYGFVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-7(2,3)5(10)4-6(8)9/h4H2,1-3H3,(H3,8,9).
What are the key properties of 4,4-dimethyl-3-oxopentanimidamide?
4,4-dimethyl-3-oxopentanimidamide has a molecular weight of 142.20 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-oxopentanimidamide is sourced from PubChem (CID 71322397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).