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

C9H17N3 — CID 115560250

IUPACN'-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboximidamide
SMILESC/N=C(\N)N1CC2CCCC2C1
InChIInChI=1S/C9H17N3/c1-11-9(10)12-5-7-3-2-4-8(7)6-12/h7-8H,2-6H2,1H3,(H2,10,11)
InChIKeyOUVQMQBYNDXWLU-UHFFFAOYSA-N
MW167.26 g/mol
LogP0.66
Rot. Bonds

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

N'-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboximidamide (PubChem CID 115560250) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is N'-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboximidamide.

Molecular Properties

Compound NameN'-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboximidamide
PubChem CID115560250
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC NameN'-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboximidamide
SMILESC/N=C(\N)N1CC2CCCC2C1
InChIInChI=1S/C9H17N3/c1-11-9(10)12-5-7-3-2-4-8(7)6-12/h7-8H,2-6H2,1H3,(H2,10,11)
InChIKeyOUVQMQBYNDXWLU-UHFFFAOYSA-N
XLogP0.66
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 50.66
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'-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboximidamide?
The IUPAC name of N'-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboximidamide (CID 115560250) is N'-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboximidamide.
What is the SMILES notation for N'-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboximidamide?
The canonical SMILES for N'-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboximidamide is C/N=C(\N)N1CC2CCCC2C1.
What is the InChIKey of N'-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboximidamide?
The InChIKey is OUVQMQBYNDXWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-11-9(10)12-5-7-3-2-4-8(7)6-12/h7-8H,2-6H2,1H3,(H2,10,11).
What are the key properties of N'-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboximidamide?
N'-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboximidamide has a molecular weight of 167.26 g/mol, XLogP of 0.66, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboximidamide is sourced from PubChem (CID 115560250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).