[(3aS,6aS)-3a,6a-dimethyl-1,2,3,4,5,6-hexahydrocyclopenta[b]pyrrol-2-yl]methanamine

C10H20N2 — CID 143754539

IUPAC[(3aS,6aS)-3a,6a-dimethyl-1,2,3,4,5,6-hexahydrocyclopenta[b]pyrrol-2-yl]methanamine
SMILESC[C@@]12CCC[C@]1(C)NC(CN)C2
InChIInChI=1S/C10H20N2/c1-9-4-3-5-10(9,2)12-8(6-9)7-11/h8,12H,3-7,11H2,1-2H3/t8?,9-,10-/m0/s1
InChIKeyWAWROLJVSBRIFL-AGROOBSYSA-N
MW168.28 g/mol
LogP1.26
Rot. Bonds1

About [(3aS,6aS)-3a,6a-dimethyl-1,2,3,4,5,6-hexahydrocyclopenta[b]pyrrol-2-yl]methanamine

[(3aS,6aS)-3a,6a-dimethyl-1,2,3,4,5,6-hexahydrocyclopenta[b]pyrrol-2-yl]methanamine (PubChem CID 143754539) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is [(3aS,6aS)-3a,6a-dimethyl-1,2,3,4,5,6-hexahydrocyclopenta[b]pyrrol-2-yl]methanamine.

Molecular Properties

Compound Name[(3aS,6aS)-3a,6a-dimethyl-1,2,3,4,5,6-hexahydrocyclopenta[b]pyrrol-2-yl]methanamine
PubChem CID143754539
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name[(3aS,6aS)-3a,6a-dimethyl-1,2,3,4,5,6-hexahydrocyclopenta[b]pyrrol-2-yl]methanamine
SMILESC[C@@]12CCC[C@]1(C)NC(CN)C2
InChIInChI=1S/C10H20N2/c1-9-4-3-5-10(9,2)12-8(6-9)7-11/h8,12H,3-7,11H2,1-2H3/t8?,9-,10-/m0/s1
InChIKeyWAWROLJVSBRIFL-AGROOBSYSA-N
XLogP1.26
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(3aS,6aS)-3a,6a-dimethyl-1,2,3,4,5,6-hexahydrocyclopenta[b]pyrrol-2-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(3aS,6aS)-3a,6a-dimethyl-1,2,3,4,5,6-hexahydrocyclopenta[b]pyrrol-2-yl]methanamine?
The IUPAC name of [(3aS,6aS)-3a,6a-dimethyl-1,2,3,4,5,6-hexahydrocyclopenta[b]pyrrol-2-yl]methanamine (CID 143754539) is [(3aS,6aS)-3a,6a-dimethyl-1,2,3,4,5,6-hexahydrocyclopenta[b]pyrrol-2-yl]methanamine.
What is the SMILES notation for [(3aS,6aS)-3a,6a-dimethyl-1,2,3,4,5,6-hexahydrocyclopenta[b]pyrrol-2-yl]methanamine?
The canonical SMILES for [(3aS,6aS)-3a,6a-dimethyl-1,2,3,4,5,6-hexahydrocyclopenta[b]pyrrol-2-yl]methanamine is C[C@@]12CCC[C@]1(C)NC(CN)C2.
What is the InChIKey of [(3aS,6aS)-3a,6a-dimethyl-1,2,3,4,5,6-hexahydrocyclopenta[b]pyrrol-2-yl]methanamine?
The InChIKey is WAWROLJVSBRIFL-AGROOBSYSA-N. The full InChI is InChI=1S/C10H20N2/c1-9-4-3-5-10(9,2)12-8(6-9)7-11/h8,12H,3-7,11H2,1-2H3/t8?,9-,10-/m0/s1.
What are the key properties of [(3aS,6aS)-3a,6a-dimethyl-1,2,3,4,5,6-hexahydrocyclopenta[b]pyrrol-2-yl]methanamine?
[(3aS,6aS)-3a,6a-dimethyl-1,2,3,4,5,6-hexahydrocyclopenta[b]pyrrol-2-yl]methanamine has a molecular weight of 168.28 g/mol, XLogP of 1.26, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,6aS)-3a,6a-dimethyl-1,2,3,4,5,6-hexahydrocyclopenta[b]pyrrol-2-yl]methanamine is sourced from PubChem (CID 143754539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).