N'-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)ethanimidamide

C9H17N3 — CID 63173030

IUPACN'-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)ethanimidamide
SMILESC/C(N)=N\C1CCN2CCCC12
InChIInChI=1S/C9H17N3/c1-7(10)11-8-4-6-12-5-2-3-9(8)12/h8-9H,2-6H2,1H3,(H2,10,11)
InChIKeyJSRTWUSYPIQHCE-UHFFFAOYSA-N
MW167.26 g/mol
LogP0.60
Rot. Bonds1

About N'-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)ethanimidamide

N'-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)ethanimidamide (PubChem CID 63173030) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is N'-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)ethanimidamide.

Molecular Properties

Compound NameN'-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)ethanimidamide
PubChem CID63173030
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC NameN'-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)ethanimidamide
SMILESC/C(N)=N\C1CCN2CCCC12
InChIInChI=1S/C9H17N3/c1-7(10)11-8-4-6-12-5-2-3-9(8)12/h8-9H,2-6H2,1H3,(H2,10,11)
InChIKeyJSRTWUSYPIQHCE-UHFFFAOYSA-N
XLogP0.60
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 50.60
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'}

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Related Compounds

N'-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)cyclopropanecarboximidamide
CID 63177285
2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1-hydroxyguanidine
CID 62483334
2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1-phenylguanidine
CID 62369893
1-amino-2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-phenylguanidine
CID 116514258
2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxamide
CID 154478252
2-(4-methylazepan-1-yl)cyclopentan-1-ol
CID 63622455
4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)cyclohexane-1-carboxamide
CID 82853124
N-cyclopropyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82852848
(8aR)-8-methyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 155305626
[(8S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]methanol
CID 11019091
4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)cyclohexan-1-ol
CID 82853106
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)acetamide
CID 60770068

Frequently Asked Questions

What is the IUPAC name of N'-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)ethanimidamide?
The IUPAC name of N'-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)ethanimidamide (CID 63173030) is N'-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)ethanimidamide.
What is the SMILES notation for N'-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)ethanimidamide?
The canonical SMILES for N'-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)ethanimidamide is C/C(N)=N\C1CCN2CCCC12.
What is the InChIKey of N'-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)ethanimidamide?
The InChIKey is JSRTWUSYPIQHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-7(10)11-8-4-6-12-5-2-3-9(8)12/h8-9H,2-6H2,1H3,(H2,10,11).
What are the key properties of N'-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)ethanimidamide?
N'-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)ethanimidamide has a molecular weight of 167.26 g/mol, XLogP of 0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)ethanimidamide is sourced from PubChem (CID 63173030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).