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

C11H20N4 — CID 104888037

IUPACN-amino-N'-cyclopropyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboximidamide
SMILESNN/C(=N\C1CC1)N1CC2CCCC2C1
InChIInChI=1S/C11H20N4/c12-14-11(13-10-4-5-10)15-6-8-2-1-3-9(8)7-15/h8-10H,1-7,12H2,(H,13,14)
InChIKeyAHKCMRFEDRUTTJ-UHFFFAOYSA-N
MW208.31 g/mol
LogP0.70
Rot. Bonds1

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

N-amino-N'-cyclopropyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboximidamide (PubChem CID 104888037) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is N-amino-N'-cyclopropyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-cyclopropyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboximidamide
PubChem CID104888037
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC NameN-amino-N'-cyclopropyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboximidamide
SMILESNN/C(=N\C1CC1)N1CC2CCCC2C1
InChIInChI=1S/C11H20N4/c12-14-11(13-10-4-5-10)15-6-8-2-1-3-9(8)7-15/h8-10H,1-7,12H2,(H,13,14)
InChIKeyAHKCMRFEDRUTTJ-UHFFFAOYSA-N
XLogP0.70
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-amino-N'-cyclopropyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboximidamide?
The IUPAC name of N-amino-N'-cyclopropyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboximidamide (CID 104888037) is N-amino-N'-cyclopropyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboximidamide.
What is the SMILES notation for N-amino-N'-cyclopropyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboximidamide?
The canonical SMILES for N-amino-N'-cyclopropyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboximidamide is NN/C(=N\C1CC1)N1CC2CCCC2C1.
What is the InChIKey of N-amino-N'-cyclopropyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboximidamide?
The InChIKey is AHKCMRFEDRUTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c12-14-11(13-10-4-5-10)15-6-8-2-1-3-9(8)7-15/h8-10H,1-7,12H2,(H,13,14).
What are the key properties of N-amino-N'-cyclopropyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboximidamide?
N-amino-N'-cyclopropyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboximidamide has a molecular weight of 208.31 g/mol, XLogP of 0.70, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-cyclopropyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboximidamide is sourced from PubChem (CID 104888037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).