N'-ethyl-3-oxo-1,4-diazepane-1-carboximidamide

C8H16N4O — CID 65363938

IUPACN'-ethyl-3-oxo-1,4-diazepane-1-carboximidamide
SMILESCC/N=C(\N)N1CCCNC(=O)C1
InChIInChI=1S/C8H16N4O/c1-2-10-8(9)12-5-3-4-11-7(13)6-12/h2-6H2,1H3,(H2,9,10)(H,11,13)
InChIKeyOLSQJTCWYAMSPJ-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.86
Rot. Bonds1

About N'-ethyl-3-oxo-1,4-diazepane-1-carboximidamide

N'-ethyl-3-oxo-1,4-diazepane-1-carboximidamide (PubChem CID 65363938) has the molecular formula C8H16N4O and a molecular weight of 184.24 g/mol. Its IUPAC name is N'-ethyl-3-oxo-1,4-diazepane-1-carboximidamide.

Molecular Properties

Compound NameN'-ethyl-3-oxo-1,4-diazepane-1-carboximidamide
PubChem CID65363938
Molecular FormulaC8H16N4O
Molecular Weight184.24 g/mol
Exact Mass184.13
IUPAC NameN'-ethyl-3-oxo-1,4-diazepane-1-carboximidamide
SMILESCC/N=C(\N)N1CCCNC(=O)C1
InChIInChI=1S/C8H16N4O/c1-2-10-8(9)12-5-3-4-11-7(13)6-12/h2-6H2,1H3,(H2,9,10)(H,11,13)
InChIKeyOLSQJTCWYAMSPJ-UHFFFAOYSA-N
XLogP-0.86
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.86
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 N'-ethyl-3-oxo-1,4-diazepane-1-carboximidamide?
The IUPAC name of N'-ethyl-3-oxo-1,4-diazepane-1-carboximidamide (CID 65363938) is N'-ethyl-3-oxo-1,4-diazepane-1-carboximidamide.
What is the SMILES notation for N'-ethyl-3-oxo-1,4-diazepane-1-carboximidamide?
The canonical SMILES for N'-ethyl-3-oxo-1,4-diazepane-1-carboximidamide is CC/N=C(\N)N1CCCNC(=O)C1.
What is the InChIKey of N'-ethyl-3-oxo-1,4-diazepane-1-carboximidamide?
The InChIKey is OLSQJTCWYAMSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O/c1-2-10-8(9)12-5-3-4-11-7(13)6-12/h2-6H2,1H3,(H2,9,10)(H,11,13).
What are the key properties of N'-ethyl-3-oxo-1,4-diazepane-1-carboximidamide?
N'-ethyl-3-oxo-1,4-diazepane-1-carboximidamide has a molecular weight of 184.24 g/mol, XLogP of -0.86, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-3-oxo-1,4-diazepane-1-carboximidamide is sourced from PubChem (CID 65363938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).