2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-4-ium-9-amine

C12H17N2+ — CID 7071102

IUPAC2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-4-ium-9-amine
SMILESNc1c2c([nH+]c3c1CCC3)CCCC2
InChIInChI=1S/C12H16N2/c13-12-8-4-1-2-6-10(8)14-11-7-3-5-9(11)12/h1-7H2,(H2,13,14)/p+1
InChIKeyYLUSMKAJIQOXPV-UHFFFAOYSA-O
MW189.28 g/mol
LogP1.45
Rot. Bonds

About 2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-4-ium-9-amine

2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-4-ium-9-amine (PubChem CID 7071102) has the molecular formula C12H17N2+ and a molecular weight of 189.28 g/mol. Its IUPAC name is 2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-4-ium-9-amine.

Molecular Properties

Compound Name2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-4-ium-9-amine
PubChem CID7071102
Molecular FormulaC12H17N2+
Molecular Weight189.28 g/mol
Exact Mass189.14
IUPAC Name2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-4-ium-9-amine
SMILESNc1c2c([nH+]c3c1CCC3)CCCC2
InChIInChI=1S/C12H16N2/c13-12-8-4-1-2-6-10(8)14-11-7-3-5-9(11)12/h1-7H2,(H2,13,14)/p+1
InChIKeyYLUSMKAJIQOXPV-UHFFFAOYSA-O
XLogP1.45
TPSA40.16 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-4-ium-9-amine with MolForge

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Related Compounds

2,3-dimethyl-6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium-4-amine
CID 7012390
5,7-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-4-ium-9-amine
CID 7302424
5,7-dimethyl-1,2,3,4-tetrahydroacridin-10-ium-9-amine
CID 6940373
5,6,7,8-tetrahydronaphthalene-1,2,3,4-tetramine
CID 163637874
8-methyl-1,2,3,5,6,7-hexahydro-s-indacen-4-amine
CID 122480741
8-ethynyl-1,2,3,5,6,7-hexahydro-s-indacen-4-amine
CID 155571395
ethane;ethene;1,2,3,5,6,7-hexahydro-s-indacen-4-amine
CID 145387694
4,5,6,7-tetrahydro-1,3-benzothiazol-3-ium-2-amine chloride
CID 135939250
2-amino-4-(4-methylphenyl)-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile
CID 7395737
(9S)-9-methyl-1,2,3,4,7,8,9,10-octahydro-[1]benzothiolo[2,3-b]quinolin-6-ium-11-amine
CID 6924983
5,6,7,8-tetrahydroquinazolin-3-ium-2,4-diamine
CID 51397814
2-amino-4-(4-hydroxyphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-3-carbonitrile
CID 6920533

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-4-ium-9-amine?
The IUPAC name of 2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-4-ium-9-amine (CID 7071102) is 2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-4-ium-9-amine.
What is the SMILES notation for 2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-4-ium-9-amine?
The canonical SMILES for 2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-4-ium-9-amine is Nc1c2c([nH+]c3c1CCC3)CCCC2.
What is the InChIKey of 2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-4-ium-9-amine?
The InChIKey is YLUSMKAJIQOXPV-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H16N2/c13-12-8-4-1-2-6-10(8)14-11-7-3-5-9(11)12/h1-7H2,(H2,13,14)/p+1.
What are the key properties of 2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-4-ium-9-amine?
2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-4-ium-9-amine has a molecular weight of 189.28 g/mol, XLogP of 1.45, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-4-ium-9-amine is sourced from PubChem (CID 7071102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).