(3aR,9bS)-8-bromo-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]quinolin-4-amine

C12H13BrN2 — CID 10400619

IUPAC(3aR,9bS)-8-bromo-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]quinolin-4-amine
SMILESNC1=Nc2ccc(Br)cc2[C@H]2CCC[C@@H]12
InChIInChI=1S/C12H13BrN2/c13-7-4-5-11-10(6-7)8-2-1-3-9(8)12(14)15-11/h4-6,8-9H,1-3H2,(H2,14,15)/t8-,9+/m0/s1
InChIKeyZCYPXEQNGKQAPA-DTWKUNHWSA-N
MW265.15 g/mol
LogP3.34
Rot. Bonds

About (3aR,9bS)-8-bromo-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]quinolin-4-amine

(3aR,9bS)-8-bromo-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]quinolin-4-amine (PubChem CID 10400619) has the molecular formula C12H13BrN2 and a molecular weight of 265.15 g/mol. Its IUPAC name is (3aR,9bS)-8-bromo-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]quinolin-4-amine.

Molecular Properties

Compound Name(3aR,9bS)-8-bromo-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]quinolin-4-amine
PubChem CID10400619
Molecular FormulaC12H13BrN2
Molecular Weight265.15 g/mol
Exact Mass264.03
IUPAC Name(3aR,9bS)-8-bromo-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]quinolin-4-amine
SMILESNC1=Nc2ccc(Br)cc2[C@H]2CCC[C@@H]12
InChIInChI=1S/C12H13BrN2/c13-7-4-5-11-10(6-7)8-2-1-3-9(8)12(14)15-11/h4-6,8-9H,1-3H2,(H2,14,15)/t8-,9+/m0/s1
InChIKeyZCYPXEQNGKQAPA-DTWKUNHWSA-N
XLogP3.34
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.15
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3aR,9bS)-8-bromo-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]quinolin-4-amine?
The IUPAC name of (3aR,9bS)-8-bromo-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]quinolin-4-amine (CID 10400619) is (3aR,9bS)-8-bromo-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]quinolin-4-amine.
What is the SMILES notation for (3aR,9bS)-8-bromo-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]quinolin-4-amine?
The canonical SMILES for (3aR,9bS)-8-bromo-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]quinolin-4-amine is NC1=Nc2ccc(Br)cc2[C@H]2CCC[C@@H]12.
What is the InChIKey of (3aR,9bS)-8-bromo-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]quinolin-4-amine?
The InChIKey is ZCYPXEQNGKQAPA-DTWKUNHWSA-N. The full InChI is InChI=1S/C12H13BrN2/c13-7-4-5-11-10(6-7)8-2-1-3-9(8)12(14)15-11/h4-6,8-9H,1-3H2,(H2,14,15)/t8-,9+/m0/s1.
What are the key properties of (3aR,9bS)-8-bromo-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]quinolin-4-amine?
(3aR,9bS)-8-bromo-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]quinolin-4-amine has a molecular weight of 265.15 g/mol, XLogP of 3.34, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,9bS)-8-bromo-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]quinolin-4-amine is sourced from PubChem (CID 10400619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).