N-butylidene-N'-ethylpiperazine-1-carboximidamide

C11H22N4 — CID 123709874

IUPACN-butylidene-N'-ethylpiperazine-1-carboximidamide
SMILESCCCC=N/C(=N\CC)N1CCNCC1
InChIInChI=1S/C11H22N4/c1-3-5-6-14-11(13-4-2)15-9-7-12-8-10-15/h6,12H,3-5,7-10H2,1-2H3/b13-11+,14-6?
InChIKeyQXBXAYYEESUFMT-FQVFLRSESA-N
MW210.32 g/mol
LogP1.14
Rot. Bonds3

About N-butylidene-N'-ethylpiperazine-1-carboximidamide

N-butylidene-N'-ethylpiperazine-1-carboximidamide (PubChem CID 123709874) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is N-butylidene-N'-ethylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN-butylidene-N'-ethylpiperazine-1-carboximidamide
PubChem CID123709874
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC NameN-butylidene-N'-ethylpiperazine-1-carboximidamide
SMILESCCCC=N/C(=N\CC)N1CCNCC1
InChIInChI=1S/C11H22N4/c1-3-5-6-14-11(13-4-2)15-9-7-12-8-10-15/h6,12H,3-5,7-10H2,1-2H3/b13-11+,14-6?
InChIKeyQXBXAYYEESUFMT-FQVFLRSESA-N
XLogP1.14
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.14
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'}

Analyze N-butylidene-N'-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 N-butylidene-N'-ethylpiperazine-1-carboximidamide?
The IUPAC name of N-butylidene-N'-ethylpiperazine-1-carboximidamide (CID 123709874) is N-butylidene-N'-ethylpiperazine-1-carboximidamide.
What is the SMILES notation for N-butylidene-N'-ethylpiperazine-1-carboximidamide?
The canonical SMILES for N-butylidene-N'-ethylpiperazine-1-carboximidamide is CCCC=N/C(=N\CC)N1CCNCC1.
What is the InChIKey of N-butylidene-N'-ethylpiperazine-1-carboximidamide?
The InChIKey is QXBXAYYEESUFMT-FQVFLRSESA-N. The full InChI is InChI=1S/C11H22N4/c1-3-5-6-14-11(13-4-2)15-9-7-12-8-10-15/h6,12H,3-5,7-10H2,1-2H3/b13-11+,14-6?.
What are the key properties of N-butylidene-N'-ethylpiperazine-1-carboximidamide?
N-butylidene-N'-ethylpiperazine-1-carboximidamide has a molecular weight of 210.32 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylidene-N'-ethylpiperazine-1-carboximidamide is sourced from PubChem (CID 123709874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).