N-(azetidin-1-yl)-N'-cyanopyrrolidine-1-carboximidamide

C9H15N5 — CID 91801508

IUPACN-(azetidin-1-yl)-N'-cyanopyrrolidine-1-carboximidamide
SMILESN#C/N=C(/NN1CCC1)N1CCCC1
InChIInChI=1S/C9H15N5/c10-8-11-9(12-14-6-3-7-14)13-4-1-2-5-13/h1-7H2,(H,11,12)
InChIKeyACINEGDVLSOLPS-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.13
Rot. Bonds1

About N-(azetidin-1-yl)-N'-cyanopyrrolidine-1-carboximidamide

N-(azetidin-1-yl)-N'-cyanopyrrolidine-1-carboximidamide (PubChem CID 91801508) has the molecular formula C9H15N5 and a molecular weight of 193.25 g/mol. Its IUPAC name is N-(azetidin-1-yl)-N'-cyanopyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-(azetidin-1-yl)-N'-cyanopyrrolidine-1-carboximidamide
PubChem CID91801508
Molecular FormulaC9H15N5
Molecular Weight193.25 g/mol
Exact Mass193.13
IUPAC NameN-(azetidin-1-yl)-N'-cyanopyrrolidine-1-carboximidamide
SMILESN#C/N=C(/NN1CCC1)N1CCCC1
InChIInChI=1S/C9H15N5/c10-8-11-9(12-14-6-3-7-14)13-4-1-2-5-13/h1-7H2,(H,11,12)
InChIKeyACINEGDVLSOLPS-UHFFFAOYSA-N
XLogP0.13
TPSA54.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.13
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'}

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Frequently Asked Questions

What is the IUPAC name of N-(azetidin-1-yl)-N'-cyanopyrrolidine-1-carboximidamide?
The IUPAC name of N-(azetidin-1-yl)-N'-cyanopyrrolidine-1-carboximidamide (CID 91801508) is N-(azetidin-1-yl)-N'-cyanopyrrolidine-1-carboximidamide.
What is the SMILES notation for N-(azetidin-1-yl)-N'-cyanopyrrolidine-1-carboximidamide?
The canonical SMILES for N-(azetidin-1-yl)-N'-cyanopyrrolidine-1-carboximidamide is N#C/N=C(/NN1CCC1)N1CCCC1.
What is the InChIKey of N-(azetidin-1-yl)-N'-cyanopyrrolidine-1-carboximidamide?
The InChIKey is ACINEGDVLSOLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5/c10-8-11-9(12-14-6-3-7-14)13-4-1-2-5-13/h1-7H2,(H,11,12).
What are the key properties of N-(azetidin-1-yl)-N'-cyanopyrrolidine-1-carboximidamide?
N-(azetidin-1-yl)-N'-cyanopyrrolidine-1-carboximidamide has a molecular weight of 193.25 g/mol, XLogP of 0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-1-yl)-N'-cyanopyrrolidine-1-carboximidamide is sourced from PubChem (CID 91801508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).