4-methyl-2-oxo-3-propan-2-ylpentanimidamide

C9H18N2O — CID 141195959

IUPAC4-methyl-2-oxo-3-propan-2-ylpentanimidamide
SMILES[H]/N=C(\N)C(=O)C(C(C)C)C(C)C
InChIInChI=1S/C9H18N2O/c1-5(2)7(6(3)4)8(12)9(10)11/h5-7H,1-4H3,(H3,10,11)
InChIKeyXMHGYRLRUACVFW-UHFFFAOYSA-N
MW170.26 g/mol
LogP1.42
Rot. Bonds4

About 4-methyl-2-oxo-3-propan-2-ylpentanimidamide

4-methyl-2-oxo-3-propan-2-ylpentanimidamide (PubChem CID 141195959) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 4-methyl-2-oxo-3-propan-2-ylpentanimidamide.

Molecular Properties

Compound Name4-methyl-2-oxo-3-propan-2-ylpentanimidamide
PubChem CID141195959
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name4-methyl-2-oxo-3-propan-2-ylpentanimidamide
SMILES[H]/N=C(\N)C(=O)C(C(C)C)C(C)C
InChIInChI=1S/C9H18N2O/c1-5(2)7(6(3)4)8(12)9(10)11/h5-7H,1-4H3,(H3,10,11)
InChIKeyXMHGYRLRUACVFW-UHFFFAOYSA-N
XLogP1.42
TPSA66.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.42
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-methyl-2-oxo-3-propan-2-ylpentanimidamide?
The IUPAC name of 4-methyl-2-oxo-3-propan-2-ylpentanimidamide (CID 141195959) is 4-methyl-2-oxo-3-propan-2-ylpentanimidamide.
What is the SMILES notation for 4-methyl-2-oxo-3-propan-2-ylpentanimidamide?
The canonical SMILES for 4-methyl-2-oxo-3-propan-2-ylpentanimidamide is [H]/N=C(\N)C(=O)C(C(C)C)C(C)C.
What is the InChIKey of 4-methyl-2-oxo-3-propan-2-ylpentanimidamide?
The InChIKey is XMHGYRLRUACVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-5(2)7(6(3)4)8(12)9(10)11/h5-7H,1-4H3,(H3,10,11).
What are the key properties of 4-methyl-2-oxo-3-propan-2-ylpentanimidamide?
4-methyl-2-oxo-3-propan-2-ylpentanimidamide has a molecular weight of 170.26 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oxo-3-propan-2-ylpentanimidamide is sourced from PubChem (CID 141195959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).