N'-cyano-4-(cyanomethyl)-4-methylpiperidine-1-carboximidamide

C10H15N5 — CID 89488883

IUPACN'-cyano-4-(cyanomethyl)-4-methylpiperidine-1-carboximidamide
SMILESCC1(CC#N)CCN(/C(N)=N/C#N)CC1
InChIInChI=1S/C10H15N5/c1-10(2-5-11)3-6-15(7-4-10)9(13)14-8-12/h2-4,6-7H2,1H3,(H2,13,14)
InChIKeyMCLBOSHOYHYYCO-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.80
Rot. Bonds1

About N'-cyano-4-(cyanomethyl)-4-methylpiperidine-1-carboximidamide

N'-cyano-4-(cyanomethyl)-4-methylpiperidine-1-carboximidamide (PubChem CID 89488883) has the molecular formula C10H15N5 and a molecular weight of 205.26 g/mol. Its IUPAC name is N'-cyano-4-(cyanomethyl)-4-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-cyano-4-(cyanomethyl)-4-methylpiperidine-1-carboximidamide
PubChem CID89488883
Molecular FormulaC10H15N5
Molecular Weight205.26 g/mol
Exact Mass205.13
IUPAC NameN'-cyano-4-(cyanomethyl)-4-methylpiperidine-1-carboximidamide
SMILESCC1(CC#N)CCN(/C(N)=N/C#N)CC1
InChIInChI=1S/C10H15N5/c1-10(2-5-11)3-6-15(7-4-10)9(13)14-8-12/h2-4,6-7H2,1H3,(H2,13,14)
InChIKeyMCLBOSHOYHYYCO-UHFFFAOYSA-N
XLogP0.80
TPSA89.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-cyano-4-(cyanomethyl)-4-methylpiperidine-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'-cyano-4-(cyanomethyl)-4-methylpiperidine-1-carboximidamide?
The IUPAC name of N'-cyano-4-(cyanomethyl)-4-methylpiperidine-1-carboximidamide (CID 89488883) is N'-cyano-4-(cyanomethyl)-4-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-cyano-4-(cyanomethyl)-4-methylpiperidine-1-carboximidamide?
The canonical SMILES for N'-cyano-4-(cyanomethyl)-4-methylpiperidine-1-carboximidamide is CC1(CC#N)CCN(/C(N)=N/C#N)CC1.
What is the InChIKey of N'-cyano-4-(cyanomethyl)-4-methylpiperidine-1-carboximidamide?
The InChIKey is MCLBOSHOYHYYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5/c1-10(2-5-11)3-6-15(7-4-10)9(13)14-8-12/h2-4,6-7H2,1H3,(H2,13,14).
What are the key properties of N'-cyano-4-(cyanomethyl)-4-methylpiperidine-1-carboximidamide?
N'-cyano-4-(cyanomethyl)-4-methylpiperidine-1-carboximidamide has a molecular weight of 205.26 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyano-4-(cyanomethyl)-4-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 89488883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).