2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-amine;hydrate;hydrochloride

C12H19ClN2O — CID 6917941

IUPAC2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-amine;hydrate;hydrochloride
SMILESCl.Nc1c2c(nc3c1CCC3)CCCC2.O
InChIInChI=1S/C12H16N2.ClH.H2O/c13-12-8-4-1-2-6-10(8)14-11-7-3-5-9(11)12;;/h1-7H2,(H2,13,14);1H;1H2
InChIKeySBTIBNSPYUUNGA-UHFFFAOYSA-N
MW242.75 g/mol
LogP1.63
Rot. Bonds

About 2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-amine;hydrate;hydrochloride

2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-amine;hydrate;hydrochloride (PubChem CID 6917941) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is 2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-amine;hydrate;hydrochloride.

Molecular Properties

Compound Name2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-amine;hydrate;hydrochloride
PubChem CID6917941
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC Name2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-amine;hydrate;hydrochloride
SMILESCl.Nc1c2c(nc3c1CCC3)CCCC2.O
InChIInChI=1S/C12H16N2.ClH.H2O/c13-12-8-4-1-2-6-10(8)14-11-7-3-5-9(11)12;;/h1-7H2,(H2,13,14);1H;1H2
InChIKeySBTIBNSPYUUNGA-UHFFFAOYSA-N
XLogP1.63
TPSA70.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-amine;hydrate;hydrochloride?
The IUPAC name of 2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-amine;hydrate;hydrochloride (CID 6917941) is 2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-amine;hydrate;hydrochloride.
What is the SMILES notation for 2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-amine;hydrate;hydrochloride?
The canonical SMILES for 2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-amine;hydrate;hydrochloride is Cl.Nc1c2c(nc3c1CCC3)CCCC2.O.
What is the InChIKey of 2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-amine;hydrate;hydrochloride?
The InChIKey is SBTIBNSPYUUNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2.ClH.H2O/c13-12-8-4-1-2-6-10(8)14-11-7-3-5-9(11)12;;/h1-7H2,(H2,13,14);1H;1H2.
What are the key properties of 2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-amine;hydrate;hydrochloride?
2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-amine;hydrate;hydrochloride has a molecular weight of 242.75 g/mol, XLogP of 1.63, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-amine;hydrate;hydrochloride is sourced from PubChem (CID 6917941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).