N'-tert-butyl-2-ethyl-3-oxopiperazine-1-carboximidamide

C11H22N4O — CID 63604910

IUPACN'-tert-butyl-2-ethyl-3-oxopiperazine-1-carboximidamide
SMILESCCC1C(=O)NCCN1/C(N)=N/C(C)(C)C
InChIInChI=1S/C11H22N4O/c1-5-8-9(16)13-6-7-15(8)10(12)14-11(2,3)4/h8H,5-7H2,1-4H3,(H2,12,14)(H,13,16)
InChIKeyXTXPITLGJBZNKB-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.31
Rot. Bonds1

About N'-tert-butyl-2-ethyl-3-oxopiperazine-1-carboximidamide

N'-tert-butyl-2-ethyl-3-oxopiperazine-1-carboximidamide (PubChem CID 63604910) has the molecular formula C11H22N4O and a molecular weight of 226.32 g/mol. Its IUPAC name is N'-tert-butyl-2-ethyl-3-oxopiperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-tert-butyl-2-ethyl-3-oxopiperazine-1-carboximidamide
PubChem CID63604910
Molecular FormulaC11H22N4O
Molecular Weight226.32 g/mol
Exact Mass226.18
IUPAC NameN'-tert-butyl-2-ethyl-3-oxopiperazine-1-carboximidamide
SMILESCCC1C(=O)NCCN1/C(N)=N/C(C)(C)C
InChIInChI=1S/C11H22N4O/c1-5-8-9(16)13-6-7-15(8)10(12)14-11(2,3)4/h8H,5-7H2,1-4H3,(H2,12,14)(H,13,16)
InChIKeyXTXPITLGJBZNKB-UHFFFAOYSA-N
XLogP0.31
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.31
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'-tert-butyl-2-ethyl-3-oxopiperazine-1-carboximidamide?
The IUPAC name of N'-tert-butyl-2-ethyl-3-oxopiperazine-1-carboximidamide (CID 63604910) is N'-tert-butyl-2-ethyl-3-oxopiperazine-1-carboximidamide.
What is the SMILES notation for N'-tert-butyl-2-ethyl-3-oxopiperazine-1-carboximidamide?
The canonical SMILES for N'-tert-butyl-2-ethyl-3-oxopiperazine-1-carboximidamide is CCC1C(=O)NCCN1/C(N)=N/C(C)(C)C.
What is the InChIKey of N'-tert-butyl-2-ethyl-3-oxopiperazine-1-carboximidamide?
The InChIKey is XTXPITLGJBZNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O/c1-5-8-9(16)13-6-7-15(8)10(12)14-11(2,3)4/h8H,5-7H2,1-4H3,(H2,12,14)(H,13,16).
What are the key properties of N'-tert-butyl-2-ethyl-3-oxopiperazine-1-carboximidamide?
N'-tert-butyl-2-ethyl-3-oxopiperazine-1-carboximidamide has a molecular weight of 226.32 g/mol, XLogP of 0.31, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-2-ethyl-3-oxopiperazine-1-carboximidamide is sourced from PubChem (CID 63604910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).