2-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]ethanamine

C9H18N2 — CID 98010112

IUPAC2-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]ethanamine
SMILESNCCN1C[C@H]2CCC[C@H]2C1
InChIInChI=1S/C9H18N2/c10-4-5-11-6-8-2-1-3-9(8)7-11/h8-9H,1-7,10H2/t8-,9+
InChIKeyWOTOQPAPKHLUCW-DTORHVGOSA-N
MW154.26 g/mol
LogP0.68
Rot. Bonds2

About 2-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]ethanamine

2-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]ethanamine (PubChem CID 98010112) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 2-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]ethanamine
PubChem CID98010112
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name2-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]ethanamine
SMILESNCCN1C[C@H]2CCC[C@H]2C1
InChIInChI=1S/C9H18N2/c10-4-5-11-6-8-2-1-3-9(8)7-11/h8-9H,1-7,10H2/t8-,9+
InChIKeyWOTOQPAPKHLUCW-DTORHVGOSA-N
XLogP0.68
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]ethanamine with MolForge

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Related Compounds

2-(3-azabicyclo[3.2.0]heptan-3-yl)ethanamine
CID 55290906
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)ethanamine;hydrochloride
CID 130157372
2-(7,7-difluoro-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl)ethanamine
CID 121201923
2-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 123306364
(3R,4R)-1-(2-aminoethyl)pyrrolidine-3,4-diamine
CID 100983747
5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-methylpentane-1-thiol
CID 115562967
1-(2-aminoethyl)pyrrolidine-3,4-diol
CID 72789543
2-(3,4-dimethylpyrrolidin-1-yl)ethanamine
CID 79188103
2-ethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 21427660
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)ethanamine
CID 115559716
9-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)nonane-1-thiol
CID 105344264
[2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]phenyl]methanamine
CID 115560349

Frequently Asked Questions

What is the IUPAC name of 2-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]ethanamine?
The IUPAC name of 2-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]ethanamine (CID 98010112) is 2-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]ethanamine.
What is the SMILES notation for 2-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]ethanamine?
The canonical SMILES for 2-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]ethanamine is NCCN1C[C@H]2CCC[C@H]2C1.
What is the InChIKey of 2-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]ethanamine?
The InChIKey is WOTOQPAPKHLUCW-DTORHVGOSA-N. The full InChI is InChI=1S/C9H18N2/c10-4-5-11-6-8-2-1-3-9(8)7-11/h8-9H,1-7,10H2/t8-,9+.
What are the key properties of 2-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]ethanamine?
2-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]ethanamine has a molecular weight of 154.26 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]ethanamine is sourced from PubChem (CID 98010112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).