N-methyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-amine

C13H18N2 — CID 3079312

IUPACN-methyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-amine
SMILESCNc1c2c(nc3c1CCC3)CCCC2
InChIInChI=1S/C13H18N2/c1-14-13-9-5-2-3-7-11(9)15-12-8-4-6-10(12)13/h2-8H2,1H3,(H,14,15)
InChIKeyGNRXDYHJVOSOHV-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.49
Rot. Bonds1

About N-methyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-amine

N-methyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-amine (PubChem CID 3079312) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is N-methyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-amine.

Molecular Properties

Compound NameN-methyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-amine
PubChem CID3079312
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC NameN-methyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-amine
SMILESCNc1c2c(nc3c1CCC3)CCCC2
InChIInChI=1S/C13H18N2/c1-14-13-9-5-2-3-7-11(9)15-12-8-4-6-10(12)13/h2-8H2,1H3,(H,14,15)
InChIKeyGNRXDYHJVOSOHV-UHFFFAOYSA-N
XLogP2.49
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-amine?
The IUPAC name of N-methyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-amine (CID 3079312) is N-methyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-amine.
What is the SMILES notation for N-methyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-amine?
The canonical SMILES for N-methyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-amine is CNc1c2c(nc3c1CCC3)CCCC2.
What is the InChIKey of N-methyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-amine?
The InChIKey is GNRXDYHJVOSOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-14-13-9-5-2-3-7-11(9)15-12-8-4-6-10(12)13/h2-8H2,1H3,(H,14,15).
What are the key properties of N-methyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-amine?
N-methyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-amine has a molecular weight of 202.30 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-amine is sourced from PubChem (CID 3079312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).