2-[(3aR,8bS)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-4-yl]ethanamine

C13H18N2 — CID 129383600

IUPAC2-[(3aR,8bS)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-4-yl]ethanamine
SMILESNCCN1c2ccccc2[C@@H]2CCC[C@H]21
InChIInChI=1S/C13H18N2/c14-8-9-15-12-6-2-1-4-10(12)11-5-3-7-13(11)15/h1-2,4,6,11,13H,3,5,7-9,14H2/t11-,13+/m0/s1
InChIKeyBPDJHMJWBAUWOX-WCQYABFASA-N
MW202.30 g/mol
LogP2.10
Rot. Bonds2

About 2-[(3aR,8bS)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-4-yl]ethanamine

2-[(3aR,8bS)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-4-yl]ethanamine (PubChem CID 129383600) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-[(3aR,8bS)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[(3aR,8bS)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-4-yl]ethanamine
PubChem CID129383600
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name2-[(3aR,8bS)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-4-yl]ethanamine
SMILESNCCN1c2ccccc2[C@@H]2CCC[C@H]21
InChIInChI=1S/C13H18N2/c14-8-9-15-12-6-2-1-4-10(12)11-5-3-7-13(11)15/h1-2,4,6,11,13H,3,5,7-9,14H2/t11-,13+/m0/s1
InChIKeyBPDJHMJWBAUWOX-WCQYABFASA-N
XLogP2.10
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3aR,8bS)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-4-yl]ethanamine?
The IUPAC name of 2-[(3aR,8bS)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-4-yl]ethanamine (CID 129383600) is 2-[(3aR,8bS)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-4-yl]ethanamine.
What is the SMILES notation for 2-[(3aR,8bS)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-4-yl]ethanamine?
The canonical SMILES for 2-[(3aR,8bS)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-4-yl]ethanamine is NCCN1c2ccccc2[C@@H]2CCC[C@H]21.
What is the InChIKey of 2-[(3aR,8bS)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-4-yl]ethanamine?
The InChIKey is BPDJHMJWBAUWOX-WCQYABFASA-N. The full InChI is InChI=1S/C13H18N2/c14-8-9-15-12-6-2-1-4-10(12)11-5-3-7-13(11)15/h1-2,4,6,11,13H,3,5,7-9,14H2/t11-,13+/m0/s1.
What are the key properties of 2-[(3aR,8bS)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-4-yl]ethanamine?
2-[(3aR,8bS)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-4-yl]ethanamine has a molecular weight of 202.30 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3aR,8bS)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indol-4-yl]ethanamine is sourced from PubChem (CID 129383600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).