N'-(3-oxopentyl)propanimidamide

C8H16N2O — CID 91186372

IUPACN'-(3-oxopentyl)propanimidamide
SMILESCCC(=O)CC/N=C(/N)CC
InChIInChI=1S/C8H16N2O/c1-3-7(11)5-6-10-8(9)4-2/h3-6H2,1-2H3,(H2,9,10)
InChIKeyCKIFEQUEBOCXBF-UHFFFAOYSA-N
MW156.23 g/mol
LogP1.12
Rot. Bonds5

About N'-(3-oxopentyl)propanimidamide

N'-(3-oxopentyl)propanimidamide (PubChem CID 91186372) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is N'-(3-oxopentyl)propanimidamide.

Molecular Properties

Compound NameN'-(3-oxopentyl)propanimidamide
PubChem CID91186372
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC NameN'-(3-oxopentyl)propanimidamide
SMILESCCC(=O)CC/N=C(/N)CC
InChIInChI=1S/C8H16N2O/c1-3-7(11)5-6-10-8(9)4-2/h3-6H2,1-2H3,(H2,9,10)
InChIKeyCKIFEQUEBOCXBF-UHFFFAOYSA-N
XLogP1.12
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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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Related Compounds

2-Amino-5,6-dihydro-3h-pyridin-4-one
CID 124185360
N'-methyl-3-oxobutanimidamide
CID 45085044
N'-(4-oxopentyl)ethanimidamide
CID 59109217
2-methyl-N'-(3-oxopentyl)butanimidamide
CID 90692878
N'-(4-amino-3-oxopentyl)-2-methylbutanimidamide
CID 90867301
2-methyl-N'-(3-oxobutyl)butanimidamide
CID 123371036
2-methyl-N'-(4-oxohexyl)propanimidamide
CID 123806153
N'-(3-amino-2-oxobutyl)pentanimidamide
CID 123935037
N'-ethyl-3-oxobutanimidamide
CID 130383169
N'-(2-methylpropyl)-3-oxopentanimidamide
CID 137470759
4-methyl-N'-(2-methylpropyl)-3-oxopentanimidamide
CID 140915576
N'-(6-oxoheptyl)ethanimidamide
CID 141832535

Frequently Asked Questions

What is the IUPAC name of N'-(3-oxopentyl)propanimidamide?
The IUPAC name of N'-(3-oxopentyl)propanimidamide (CID 91186372) is N'-(3-oxopentyl)propanimidamide.
What is the SMILES notation for N'-(3-oxopentyl)propanimidamide?
The canonical SMILES for N'-(3-oxopentyl)propanimidamide is CCC(=O)CC/N=C(/N)CC.
What is the InChIKey of N'-(3-oxopentyl)propanimidamide?
The InChIKey is CKIFEQUEBOCXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-3-7(11)5-6-10-8(9)4-2/h3-6H2,1-2H3,(H2,9,10).
What are the key properties of N'-(3-oxopentyl)propanimidamide?
N'-(3-oxopentyl)propanimidamide has a molecular weight of 156.23 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-oxopentyl)propanimidamide is sourced from PubChem (CID 91186372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).