N'-propyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboximidamide

C11H21N3 — CID 115560244

IUPACN'-propyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboximidamide
SMILESCCC/N=C(\N)N1CC2CCCC2C1
InChIInChI=1S/C11H21N3/c1-2-6-13-11(12)14-7-9-4-3-5-10(9)8-14/h9-10H,2-8H2,1H3,(H2,12,13)
InChIKeyOHQGJNIVWGYNDF-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.44
Rot. Bonds2

About N'-propyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboximidamide

N'-propyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboximidamide (PubChem CID 115560244) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is N'-propyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboximidamide.

Molecular Properties

Compound NameN'-propyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboximidamide
PubChem CID115560244
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC NameN'-propyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboximidamide
SMILESCCC/N=C(\N)N1CC2CCCC2C1
InChIInChI=1S/C11H21N3/c1-2-6-13-11(12)14-7-9-4-3-5-10(9)8-14/h9-10H,2-8H2,1H3,(H2,12,13)
InChIKeyOHQGJNIVWGYNDF-UHFFFAOYSA-N
XLogP1.44
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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'-propyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboximidamide?
The IUPAC name of N'-propyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboximidamide (CID 115560244) is N'-propyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboximidamide.
What is the SMILES notation for N'-propyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboximidamide?
The canonical SMILES for N'-propyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboximidamide is CCC/N=C(\N)N1CC2CCCC2C1.
What is the InChIKey of N'-propyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboximidamide?
The InChIKey is OHQGJNIVWGYNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-2-6-13-11(12)14-7-9-4-3-5-10(9)8-14/h9-10H,2-8H2,1H3,(H2,12,13).
What are the key properties of N'-propyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboximidamide?
N'-propyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboximidamide has a molecular weight of 195.31 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboximidamide is sourced from PubChem (CID 115560244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).