(3aR,6S,6aS)-1-benzyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-amine

C14H20N2 — CID 162367950

IUPAC(3aR,6S,6aS)-1-benzyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-amine
SMILESN[C@H]1CC[C@@H]2CCN(Cc3ccccc3)[C@@H]21
InChIInChI=1S/C14H20N2/c15-13-7-6-12-8-9-16(14(12)13)10-11-4-2-1-3-5-11/h1-5,12-14H,6-10,15H2/t12-,13+,14+/m1/s1
InChIKeyCPPCZXIJDMMURA-RDBSUJKOSA-N
MW216.33 g/mol
LogP2.00
Rot. Bonds2

About (3aR,6S,6aS)-1-benzyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-amine

(3aR,6S,6aS)-1-benzyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-amine (PubChem CID 162367950) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is (3aR,6S,6aS)-1-benzyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-amine.

Molecular Properties

Compound Name(3aR,6S,6aS)-1-benzyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-amine
PubChem CID162367950
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name(3aR,6S,6aS)-1-benzyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-amine
SMILESN[C@H]1CC[C@@H]2CCN(Cc3ccccc3)[C@@H]21
InChIInChI=1S/C14H20N2/c15-13-7-6-12-8-9-16(14(12)13)10-11-4-2-1-3-5-11/h1-5,12-14H,6-10,15H2/t12-,13+,14+/m1/s1
InChIKeyCPPCZXIJDMMURA-RDBSUJKOSA-N
XLogP2.00
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3aR,6S,6aS)-1-benzyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-amine with MolForge

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Related Compounds

(3aR,6aS)-1-benzyl-6-bromo-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole
CID 155905023
(2R,3S)-1-benzyl-2-cyclopropyl-3-nitropyrrolidine
CID 155414561
1-benzylpyrrolidine-3,4-diamine;cyclobutane-1,2-diamine;cyclopropane-1,2-diamine
CID 158227606
(3aR,9aR)-1-benzyl-2,3,3a,4,9,9a-hexahydrobenzo[f]indole
CID 54235385
(1R,4R,7R)-2-benzyl-2-azabicyclo[2.2.1]heptan-7-amine
CID 67234366
1-benzyl-2,3,3a,4,5,6,7,7a-octahydroindole-6-carboxylic acid
CID 82380236
(2R)-1-benzylpiperidin-2-amine
CID 97050484
(3aR,6aS)-2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
CID 59011511
(6aS)-1-benzyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
CID 155248085
(4S)-2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
CID 71742370
4-(3-amino-1-benzylpyrrolidin-2-yl)phenol
CID 82379506
(2R,3S,6R)-5-benzyl-3-phenyl-1,5-diazatricyclo[5.2.2.02,6]undecane
CID 56865189

Frequently Asked Questions

What is the IUPAC name of (3aR,6S,6aS)-1-benzyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-amine?
The IUPAC name of (3aR,6S,6aS)-1-benzyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-amine (CID 162367950) is (3aR,6S,6aS)-1-benzyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-amine.
What is the SMILES notation for (3aR,6S,6aS)-1-benzyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-amine?
The canonical SMILES for (3aR,6S,6aS)-1-benzyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-amine is N[C@H]1CC[C@@H]2CCN(Cc3ccccc3)[C@@H]21.
What is the InChIKey of (3aR,6S,6aS)-1-benzyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-amine?
The InChIKey is CPPCZXIJDMMURA-RDBSUJKOSA-N. The full InChI is InChI=1S/C14H20N2/c15-13-7-6-12-8-9-16(14(12)13)10-11-4-2-1-3-5-11/h1-5,12-14H,6-10,15H2/t12-,13+,14+/m1/s1.
What are the key properties of (3aR,6S,6aS)-1-benzyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-amine?
(3aR,6S,6aS)-1-benzyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-amine has a molecular weight of 216.33 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6S,6aS)-1-benzyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-6-amine is sourced from PubChem (CID 162367950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).