2-oxo-N'-propan-2-ylpentanimidamide

C8H16N2O — CID 139406933

IUPAC2-oxo-N'-propan-2-ylpentanimidamide
SMILESCCCC(=O)/C(N)=N/C(C)C
InChIInChI=1S/C8H16N2O/c1-4-5-7(11)8(9)10-6(2)3/h6H,4-5H2,1-3H3,(H2,9,10)
InChIKeyHOTQSUXWZDNLDY-UHFFFAOYSA-N
MW156.23 g/mol
LogP1.12
Rot. Bonds4

About 2-oxo-N'-propan-2-ylpentanimidamide

2-oxo-N'-propan-2-ylpentanimidamide (PubChem CID 139406933) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 2-oxo-N'-propan-2-ylpentanimidamide.

Molecular Properties

Compound Name2-oxo-N'-propan-2-ylpentanimidamide
PubChem CID139406933
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name2-oxo-N'-propan-2-ylpentanimidamide
SMILESCCCC(=O)/C(N)=N/C(C)C
InChIInChI=1S/C8H16N2O/c1-4-5-7(11)8(9)10-6(2)3/h6H,4-5H2,1-3H3,(H2,9,10)
InChIKeyHOTQSUXWZDNLDY-UHFFFAOYSA-N
XLogP1.12
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 51.12
H-Bond Donors ≤ 51
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 2-oxo-N'-propan-2-ylpentanimidamide?
The IUPAC name of 2-oxo-N'-propan-2-ylpentanimidamide (CID 139406933) is 2-oxo-N'-propan-2-ylpentanimidamide.
What is the SMILES notation for 2-oxo-N'-propan-2-ylpentanimidamide?
The canonical SMILES for 2-oxo-N'-propan-2-ylpentanimidamide is CCCC(=O)/C(N)=N/C(C)C.
What is the InChIKey of 2-oxo-N'-propan-2-ylpentanimidamide?
The InChIKey is HOTQSUXWZDNLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-4-5-7(11)8(9)10-6(2)3/h6H,4-5H2,1-3H3,(H2,9,10).
What are the key properties of 2-oxo-N'-propan-2-ylpentanimidamide?
2-oxo-N'-propan-2-ylpentanimidamide has a molecular weight of 156.23 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N'-propan-2-ylpentanimidamide is sourced from PubChem (CID 139406933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).