2-ethylpiperazine-1-carboximidamide

C7H16N4 — CID 159511522

IUPAC2-ethylpiperazine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCNCC1CC
InChIInChI=1S/C7H16N4/c1-2-6-5-10-3-4-11(6)7(8)9/h6,10H,2-5H2,1H3,(H3,8,9)
InChIKeyMAQVVEAGSKMWKY-UHFFFAOYSA-N
MW156.23 g/mol
LogP-0.44
Rot. Bonds1

About 2-ethylpiperazine-1-carboximidamide

2-ethylpiperazine-1-carboximidamide (PubChem CID 159511522) has the molecular formula C7H16N4 and a molecular weight of 156.23 g/mol. Its IUPAC name is 2-ethylpiperazine-1-carboximidamide.

Molecular Properties

Compound Name2-ethylpiperazine-1-carboximidamide
PubChem CID159511522
Molecular FormulaC7H16N4
Molecular Weight156.23 g/mol
Exact Mass156.14
IUPAC Name2-ethylpiperazine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCNCC1CC
InChIInChI=1S/C7H16N4/c1-2-6-5-10-3-4-11(6)7(8)9/h6,10H,2-5H2,1H3,(H3,8,9)
InChIKeyMAQVVEAGSKMWKY-UHFFFAOYSA-N
XLogP-0.44
TPSA65.14 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-ethylpiperazine-1-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethylpiperazine-1-carboximidamide?
The IUPAC name of 2-ethylpiperazine-1-carboximidamide (CID 159511522) is 2-ethylpiperazine-1-carboximidamide.
What is the SMILES notation for 2-ethylpiperazine-1-carboximidamide?
The canonical SMILES for 2-ethylpiperazine-1-carboximidamide is [H]/N=C(\N)N1CCNCC1CC.
What is the InChIKey of 2-ethylpiperazine-1-carboximidamide?
The InChIKey is MAQVVEAGSKMWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N4/c1-2-6-5-10-3-4-11(6)7(8)9/h6,10H,2-5H2,1H3,(H3,8,9).
What are the key properties of 2-ethylpiperazine-1-carboximidamide?
2-ethylpiperazine-1-carboximidamide has a molecular weight of 156.23 g/mol, XLogP of -0.44, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylpiperazine-1-carboximidamide is sourced from PubChem (CID 159511522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).