N-cyano-4-ethyl-N'-methylpiperazine-1-carboximidamide

C9H17N5 — CID 118233242

IUPACN-cyano-4-ethyl-N'-methylpiperazine-1-carboximidamide
SMILESCCN1CCN(/C(=N/C)NC#N)CC1
InChIInChI=1S/C9H17N5/c1-3-13-4-6-14(7-5-13)9(11-2)12-8-10/h3-7H2,1-2H3,(H,11,12)
InChIKeyLSJXLXZOEPDZHA-UHFFFAOYSA-N
MW195.27 g/mol
LogP-0.32
Rot. Bonds1

About N-cyano-4-ethyl-N'-methylpiperazine-1-carboximidamide

N-cyano-4-ethyl-N'-methylpiperazine-1-carboximidamide (PubChem CID 118233242) has the molecular formula C9H17N5 and a molecular weight of 195.27 g/mol. Its IUPAC name is N-cyano-4-ethyl-N'-methylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN-cyano-4-ethyl-N'-methylpiperazine-1-carboximidamide
PubChem CID118233242
Molecular FormulaC9H17N5
Molecular Weight195.27 g/mol
Exact Mass195.15
IUPAC NameN-cyano-4-ethyl-N'-methylpiperazine-1-carboximidamide
SMILESCCN1CCN(/C(=N/C)NC#N)CC1
InChIInChI=1S/C9H17N5/c1-3-13-4-6-14(7-5-13)9(11-2)12-8-10/h3-7H2,1-2H3,(H,11,12)
InChIKeyLSJXLXZOEPDZHA-UHFFFAOYSA-N
XLogP-0.32
TPSA54.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'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-cyano-4-ethyl-N'-methylpiperazine-1-carboximidamide?
The IUPAC name of N-cyano-4-ethyl-N'-methylpiperazine-1-carboximidamide (CID 118233242) is N-cyano-4-ethyl-N'-methylpiperazine-1-carboximidamide.
What is the SMILES notation for N-cyano-4-ethyl-N'-methylpiperazine-1-carboximidamide?
The canonical SMILES for N-cyano-4-ethyl-N'-methylpiperazine-1-carboximidamide is CCN1CCN(/C(=N/C)NC#N)CC1.
What is the InChIKey of N-cyano-4-ethyl-N'-methylpiperazine-1-carboximidamide?
The InChIKey is LSJXLXZOEPDZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5/c1-3-13-4-6-14(7-5-13)9(11-2)12-8-10/h3-7H2,1-2H3,(H,11,12).
What are the key properties of N-cyano-4-ethyl-N'-methylpiperazine-1-carboximidamide?
N-cyano-4-ethyl-N'-methylpiperazine-1-carboximidamide has a molecular weight of 195.27 g/mol, XLogP of -0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyano-4-ethyl-N'-methylpiperazine-1-carboximidamide is sourced from PubChem (CID 118233242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).