3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-amine;hydrochloride

C7H13ClN2 — CID 68934689

IUPAC3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-amine;hydrochloride
SMILESCl.NN1CC2=CCCC2C1
InChIInChI=1S/C7H12N2.ClH/c8-9-4-6-2-1-3-7(6)5-9;/h2,7H,1,3-5,8H2;1H
InChIKeyJTRJHFNBFJFSIA-UHFFFAOYSA-N
MW160.65 g/mol
LogP0.93
Rot. Bonds

About 3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-amine;hydrochloride

3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-amine;hydrochloride (PubChem CID 68934689) has the molecular formula C7H13ClN2 and a molecular weight of 160.65 g/mol. Its IUPAC name is 3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-amine;hydrochloride.

Molecular Properties

Compound Name3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-amine;hydrochloride
PubChem CID68934689
Molecular FormulaC7H13ClN2
Molecular Weight160.65 g/mol
Exact Mass160.08
IUPAC Name3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-amine;hydrochloride
SMILESCl.NN1CC2=CCCC2C1
InChIInChI=1S/C7H12N2.ClH/c8-9-4-6-2-1-3-7(6)5-9;/h2,7H,1,3-5,8H2;1H
InChIKeyJTRJHFNBFJFSIA-UHFFFAOYSA-N
XLogP0.93
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.65
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid
CID 154144585
1,2,3,3a,4,5-hexahydropentalene
CID 13058233
(9aR)-2,4,5,8,9,9a-hexahydro-1H-cyclopenta[8]annulene
CID 129409176
1,2,3,5,6,6a-hexahydrocyclopenta[c]pyrrole
CID 66924633
1-(3,4,4a,5,6,7-hexahydro-1H-isoquinolin-2-yl)-2-aminoethanone
CID 66795103
1-(1,2,3,3a,4,5-hexahydropentalen-2-yl)ethanone
CID 141162537
1,2,3,3a,4,5-hexahydrocyclopenta[b]pyrrol-2-amine
CID 141163031
1-(3,4,4a,5,6,7-hexahydro-1H-isoquinolin-2-yl)-3-aminopropan-1-one
CID 66794660
(1R)-2-chlorocyclopent-2-en-1-amine;hydrochloride
CID 118540639
2,3,3a,4,5,6-hexahydroindol-1-amine
CID 154199633
1,3,3a,4,5,6-hexahydro-2-benzothiophene
CID 59881969
1-(3,4,4a,5,6,7-hexahydro-1H-isoquinolin-2-yl)-2-(3-methylpiperidin-1-yl)ethane-1,2-dione
CID 66794856

Frequently Asked Questions

What is the IUPAC name of 3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-amine;hydrochloride?
The IUPAC name of 3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-amine;hydrochloride (CID 68934689) is 3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-amine;hydrochloride.
What is the SMILES notation for 3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-amine;hydrochloride?
The canonical SMILES for 3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-amine;hydrochloride is Cl.NN1CC2=CCCC2C1.
What is the InChIKey of 3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-amine;hydrochloride?
The InChIKey is JTRJHFNBFJFSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2.ClH/c8-9-4-6-2-1-3-7(6)5-9;/h2,7H,1,3-5,8H2;1H.
What are the key properties of 3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-amine;hydrochloride?
3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-amine;hydrochloride has a molecular weight of 160.65 g/mol, XLogP of 0.93, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6,6a-tetrahydro-1H-cyclopenta[c]pyrrol-2-amine;hydrochloride is sourced from PubChem (CID 68934689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).