1-(2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl)pyrrolidin-3-amine

C18H27N3 — CID 130992940

IUPAC1-(2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl)pyrrolidin-3-amine
SMILESNC1CCN(C2CCC3CN(Cc4ccccc4)CC32)C1
InChIInChI=1S/C18H27N3/c19-16-8-9-21(12-16)18-7-6-15-11-20(13-17(15)18)10-14-4-2-1-3-5-14/h1-5,15-18H,6-13,19H2
InChIKeyASDBXKQOEXLMRU-UHFFFAOYSA-N
MW285.43 g/mol
LogP1.93
Rot. Bonds3

About 1-(2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl)pyrrolidin-3-amine

1-(2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl)pyrrolidin-3-amine (PubChem CID 130992940) has the molecular formula C18H27N3 and a molecular weight of 285.43 g/mol. Its IUPAC name is 1-(2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-(2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl)pyrrolidin-3-amine
PubChem CID130992940
Molecular FormulaC18H27N3
Molecular Weight285.43 g/mol
Exact Mass285.22
IUPAC Name1-(2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl)pyrrolidin-3-amine
SMILESNC1CCN(C2CCC3CN(Cc4ccccc4)CC32)C1
InChIInChI=1S/C18H27N3/c19-16-8-9-21(12-16)18-7-6-15-11-20(13-17(15)18)10-14-4-2-1-3-5-14/h1-5,15-18H,6-13,19H2
InChIKeyASDBXKQOEXLMRU-UHFFFAOYSA-N
XLogP1.93
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-(+)-1-Benzyl-3-aminopyrrolidine
CID 1519353
(3R)-1-benzylpyrrolidin-3-amine
CID 1519354
1-Benzyl-3-aminopyrrolidine
CID 2756613
1-Benzyl-1,7-diazaspiro(4.4)nonane
CID 15634713
2-Benzyl-2,5-diazabicyclo[2.2.1]heptane
CID 562932
(3R,4R)-(-)-3,4-Diamino-1-benzylpyrrolidine
CID 11459728
rel-(3aR,6aS)-Octahydro-2-(phenylmethyl)pyrrolo(3,4-c)pyrrole
CID 1514450
1-Benzyl-4-methylpyrrolidin-3-amine
CID 14211241
9-Benzyl-3,9-diazabicyclo(4.2.1)nonane
CID 22057906
(3S,4S)-(+)-3,4-Diamino-1-benzylpyrrolidine
CID 24728047
2-Benzyl-octahydrocyclopenta[c]pyrrol-4-amine
CID 42614534
rac-(1R,4R,7R)-2-benzyl-2-azabicyclo(2.2.1)heptan-7-amine
CID 67234366

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl)pyrrolidin-3-amine?
The IUPAC name of 1-(2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl)pyrrolidin-3-amine (CID 130992940) is 1-(2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl)pyrrolidin-3-amine.
What is the SMILES notation for 1-(2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl)pyrrolidin-3-amine?
The canonical SMILES for 1-(2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl)pyrrolidin-3-amine is NC1CCN(C2CCC3CN(Cc4ccccc4)CC32)C1.
What is the InChIKey of 1-(2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl)pyrrolidin-3-amine?
The InChIKey is ASDBXKQOEXLMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c19-16-8-9-21(12-16)18-7-6-15-11-20(13-17(15)18)10-14-4-2-1-3-5-14/h1-5,15-18H,6-13,19H2.
What are the key properties of 1-(2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl)pyrrolidin-3-amine?
1-(2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl)pyrrolidin-3-amine has a molecular weight of 285.43 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl)pyrrolidin-3-amine is sourced from PubChem (CID 130992940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).