N-amino-N'-butyl-2,2-dimethyl-3-oxopiperazine-1-carboximidamide

C11H23N5O — CID 104886068

IUPACN-amino-N'-butyl-2,2-dimethyl-3-oxopiperazine-1-carboximidamide
SMILESCCCC/N=C(\NN)N1CCNC(=O)C1(C)C
InChIInChI=1S/C11H23N5O/c1-4-5-6-14-10(15-12)16-8-7-13-9(17)11(16,2)3/h4-8,12H2,1-3H3,(H,13,17)(H,14,15)
InChIKeyZGXZRSSVWSPGKP-UHFFFAOYSA-N
MW241.34 g/mol
LogP-0.18
Rot. Bonds3

About N-amino-N'-butyl-2,2-dimethyl-3-oxopiperazine-1-carboximidamide

N-amino-N'-butyl-2,2-dimethyl-3-oxopiperazine-1-carboximidamide (PubChem CID 104886068) has the molecular formula C11H23N5O and a molecular weight of 241.34 g/mol. Its IUPAC name is N-amino-N'-butyl-2,2-dimethyl-3-oxopiperazine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-butyl-2,2-dimethyl-3-oxopiperazine-1-carboximidamide
PubChem CID104886068
Molecular FormulaC11H23N5O
Molecular Weight241.34 g/mol
Exact Mass241.19
IUPAC NameN-amino-N'-butyl-2,2-dimethyl-3-oxopiperazine-1-carboximidamide
SMILESCCCC/N=C(\NN)N1CCNC(=O)C1(C)C
InChIInChI=1S/C11H23N5O/c1-4-5-6-14-10(15-12)16-8-7-13-9(17)11(16,2)3/h4-8,12H2,1-3H3,(H,13,17)(H,14,15)
InChIKeyZGXZRSSVWSPGKP-UHFFFAOYSA-N
XLogP-0.18
TPSA82.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-amino-N'-butyl-2,2-dimethyl-3-oxopiperazine-1-carboximidamide?
The IUPAC name of N-amino-N'-butyl-2,2-dimethyl-3-oxopiperazine-1-carboximidamide (CID 104886068) is N-amino-N'-butyl-2,2-dimethyl-3-oxopiperazine-1-carboximidamide.
What is the SMILES notation for N-amino-N'-butyl-2,2-dimethyl-3-oxopiperazine-1-carboximidamide?
The canonical SMILES for N-amino-N'-butyl-2,2-dimethyl-3-oxopiperazine-1-carboximidamide is CCCC/N=C(\NN)N1CCNC(=O)C1(C)C.
What is the InChIKey of N-amino-N'-butyl-2,2-dimethyl-3-oxopiperazine-1-carboximidamide?
The InChIKey is ZGXZRSSVWSPGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N5O/c1-4-5-6-14-10(15-12)16-8-7-13-9(17)11(16,2)3/h4-8,12H2,1-3H3,(H,13,17)(H,14,15).
What are the key properties of N-amino-N'-butyl-2,2-dimethyl-3-oxopiperazine-1-carboximidamide?
N-amino-N'-butyl-2,2-dimethyl-3-oxopiperazine-1-carboximidamide has a molecular weight of 241.34 g/mol, XLogP of -0.18, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-butyl-2,2-dimethyl-3-oxopiperazine-1-carboximidamide is sourced from PubChem (CID 104886068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).