2,3,6,7-tetrahydro-1H-cyclopenta[b]quinolin-9-amine

C12H14N2 — CID 155289317

IUPAC2,3,6,7-tetrahydro-1H-cyclopenta[b]quinolin-9-amine
SMILESNc1c2c(nc3c1=CCCC=3)CCC2
InChIInChI=1S/C12H14N2/c13-12-8-4-1-2-6-10(8)14-11-7-3-5-9(11)12/h4,6H,1-3,5,7,13H2
InChIKeyDJJSCSYPRVAAHP-UHFFFAOYSA-N
MW186.26 g/mol
LogP0.51
Rot. Bonds

About 2,3,6,7-tetrahydro-1H-cyclopenta[b]quinolin-9-amine

2,3,6,7-tetrahydro-1H-cyclopenta[b]quinolin-9-amine (PubChem CID 155289317) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 2,3,6,7-tetrahydro-1H-cyclopenta[b]quinolin-9-amine.

Molecular Properties

Compound Name2,3,6,7-tetrahydro-1H-cyclopenta[b]quinolin-9-amine
PubChem CID155289317
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name2,3,6,7-tetrahydro-1H-cyclopenta[b]quinolin-9-amine
SMILESNc1c2c(nc3c1=CCCC=3)CCC2
InChIInChI=1S/C12H14N2/c13-12-8-4-1-2-6-10(8)14-11-7-3-5-9(11)12/h4,6H,1-3,5,7,13H2
InChIKeyDJJSCSYPRVAAHP-UHFFFAOYSA-N
XLogP0.51
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,6,7-tetrahydro-1H-cyclopenta[b]quinolin-9-amine?
The IUPAC name of 2,3,6,7-tetrahydro-1H-cyclopenta[b]quinolin-9-amine (CID 155289317) is 2,3,6,7-tetrahydro-1H-cyclopenta[b]quinolin-9-amine.
What is the SMILES notation for 2,3,6,7-tetrahydro-1H-cyclopenta[b]quinolin-9-amine?
The canonical SMILES for 2,3,6,7-tetrahydro-1H-cyclopenta[b]quinolin-9-amine is Nc1c2c(nc3c1=CCCC=3)CCC2.
What is the InChIKey of 2,3,6,7-tetrahydro-1H-cyclopenta[b]quinolin-9-amine?
The InChIKey is DJJSCSYPRVAAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c13-12-8-4-1-2-6-10(8)14-11-7-3-5-9(11)12/h4,6H,1-3,5,7,13H2.
What are the key properties of 2,3,6,7-tetrahydro-1H-cyclopenta[b]quinolin-9-amine?
2,3,6,7-tetrahydro-1H-cyclopenta[b]quinolin-9-amine has a molecular weight of 186.26 g/mol, XLogP of 0.51, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6,7-tetrahydro-1H-cyclopenta[b]quinolin-9-amine is sourced from PubChem (CID 155289317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).