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

C10H17N5 — CID 91345657

IUPACN-(azetidin-1-yl)-N'-cyanopiperidine-1-carboximidamide
SMILESN#C/N=C(/NN1CCC1)N1CCCCC1
InChIInChI=1S/C10H17N5/c11-9-12-10(13-15-7-4-8-15)14-5-2-1-3-6-14/h1-8H2,(H,12,13)
InChIKeyQVCXTPZNCOUMRS-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.52
Rot. Bonds1

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

N-(azetidin-1-yl)-N'-cyanopiperidine-1-carboximidamide (PubChem CID 91345657) has the molecular formula C10H17N5 and a molecular weight of 207.28 g/mol. Its IUPAC name is N-(azetidin-1-yl)-N'-cyanopiperidine-1-carboximidamide.

Molecular Properties

Compound NameN-(azetidin-1-yl)-N'-cyanopiperidine-1-carboximidamide
PubChem CID91345657
Molecular FormulaC10H17N5
Molecular Weight207.28 g/mol
Exact Mass207.15
IUPAC NameN-(azetidin-1-yl)-N'-cyanopiperidine-1-carboximidamide
SMILESN#C/N=C(/NN1CCC1)N1CCCCC1
InChIInChI=1S/C10H17N5/c11-9-12-10(13-15-7-4-8-15)14-5-2-1-3-6-14/h1-8H2,(H,12,13)
InChIKeyQVCXTPZNCOUMRS-UHFFFAOYSA-N
XLogP0.52
TPSA54.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.52
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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Related Compounds

N-(azetidin-1-yl)-N'-cyanopyrrolidine-1-carboximidamide
CID 91801508
2-cyano-1-pyrrolidin-1-ylguanidine
CID 174836086
dipyrrolidin-1-ylmethylidenecyanamide
CID 101164131
[1-(azetidin-1-yl)-2,2-dimethylpropylidene]cyanamide
CID 90322153
3-(N'-cyanocarbamimidoyl)-1,3-diazinane-1-carboxamide
CID 158720899
piperidin-1-ylcyanamide
CID 83018851
N-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 130685357
N-methylpyrrolidine-1-carboximidoyl cyanide
CID 123728316
N-cyano-N'-[12-[[(cyanoamino)-pyrrolidin-1-ylmethylidene]amino]dodecyl]pyrrolidine-1-carboximidamide
CID 86580340
N-pyrrolidin-1-ylhydroxylamine
CID 54495449
N-cyano-N'-pyridin-3-ylpiperidine-1-carboximidamide
CID 3050756
pyrrolidin-1-ylurea;hydrate
CID 141393036

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-1-yl)-N'-cyanopiperidine-1-carboximidamide?
The IUPAC name of N-(azetidin-1-yl)-N'-cyanopiperidine-1-carboximidamide (CID 91345657) is N-(azetidin-1-yl)-N'-cyanopiperidine-1-carboximidamide.
What is the SMILES notation for N-(azetidin-1-yl)-N'-cyanopiperidine-1-carboximidamide?
The canonical SMILES for N-(azetidin-1-yl)-N'-cyanopiperidine-1-carboximidamide is N#C/N=C(/NN1CCC1)N1CCCCC1.
What is the InChIKey of N-(azetidin-1-yl)-N'-cyanopiperidine-1-carboximidamide?
The InChIKey is QVCXTPZNCOUMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5/c11-9-12-10(13-15-7-4-8-15)14-5-2-1-3-6-14/h1-8H2,(H,12,13).
What are the key properties of N-(azetidin-1-yl)-N'-cyanopiperidine-1-carboximidamide?
N-(azetidin-1-yl)-N'-cyanopiperidine-1-carboximidamide has a molecular weight of 207.28 g/mol, XLogP of 0.52, 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'-cyanopiperidine-1-carboximidamide is sourced from PubChem (CID 91345657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).