N-(diaminomethylidene)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboximidamide

C9H17N5 — CID 83034391

IUPACN-(diaminomethylidene)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboximidamide
SMILES[H]/N=C(\N=C(N)N)N1CC2CCCC2C1
InChIInChI=1S/C9H17N5/c10-8(11)13-9(12)14-4-6-2-1-3-7(6)5-14/h6-7H,1-5H2,(H5,10,11,12,13)
InChIKeyVZNKCIWQFUZIAE-UHFFFAOYSA-N
MW195.27 g/mol
LogP-0.07
Rot. Bonds

About N-(diaminomethylidene)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboximidamide

N-(diaminomethylidene)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboximidamide (PubChem CID 83034391) has the molecular formula C9H17N5 and a molecular weight of 195.27 g/mol. Its IUPAC name is N-(diaminomethylidene)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboximidamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboximidamide
PubChem CID83034391
Molecular FormulaC9H17N5
Molecular Weight195.27 g/mol
Exact Mass195.15
IUPAC NameN-(diaminomethylidene)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboximidamide
SMILES[H]/N=C(\N=C(N)N)N1CC2CCCC2C1
InChIInChI=1S/C9H17N5/c10-8(11)13-9(12)14-4-6-2-1-3-7(6)5-14/h6-7H,1-5H2,(H5,10,11,12,13)
InChIKeyVZNKCIWQFUZIAE-UHFFFAOYSA-N
XLogP-0.07
TPSA91.49 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
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-(diaminomethylidene)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboximidamide?
The IUPAC name of N-(diaminomethylidene)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboximidamide (CID 83034391) is N-(diaminomethylidene)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboximidamide.
What is the SMILES notation for N-(diaminomethylidene)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboximidamide?
The canonical SMILES for N-(diaminomethylidene)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboximidamide is [H]/N=C(\N=C(N)N)N1CC2CCCC2C1.
What is the InChIKey of N-(diaminomethylidene)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboximidamide?
The InChIKey is VZNKCIWQFUZIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5/c10-8(11)13-9(12)14-4-6-2-1-3-7(6)5-14/h6-7H,1-5H2,(H5,10,11,12,13).
What are the key properties of N-(diaminomethylidene)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboximidamide?
N-(diaminomethylidene)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboximidamide has a molecular weight of 195.27 g/mol, XLogP of -0.07, 0 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboximidamide is sourced from PubChem (CID 83034391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).