7-methyl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline

C13H17N — CID 70172969

IUPAC7-methyl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline
SMILESCc1ccc2c(c1)NCC1CCCC21
InChIInChI=1S/C13H17N/c1-9-5-6-12-11-4-2-3-10(11)8-14-13(12)7-9/h5-7,10-11,14H,2-4,8H2,1H3
InChIKeyWFFCZGDJTIKJQK-UHFFFAOYSA-N
MW187.29 g/mol
LogP3.30
Rot. Bonds

About 7-methyl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline

7-methyl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline (PubChem CID 70172969) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 7-methyl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline.

Molecular Properties

Compound Name7-methyl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline
PubChem CID70172969
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name7-methyl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline
SMILESCc1ccc2c(c1)NCC1CCCC21
InChIInChI=1S/C13H17N/c1-9-5-6-12-11-4-2-3-10(11)8-14-13(12)7-9/h5-7,10-11,14H,2-4,8H2,1H3
InChIKeyWFFCZGDJTIKJQK-UHFFFAOYSA-N
XLogP3.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(9aR,12aS)-4,5,6,7,9,9a,10,11,12,12a-Decahydrocyclopenta(4,5)pyrido(3,2,1-jk)(1,4)benzodiazepine
CID 11521822
6-Methyl-1,2,3,4-tetrahydroquinoline
CID 66678
1,2,3,4-Tetrahydroquinoline
CID 69460
1,2,3,4-Tetrahydro-4-methylquinoline
CID 86854
2-Methyl-1,2,3,4-tetrahydroquinoline
CID 96289
2,3-dimethyl-2,3-dihydro-1H-indole
CID 30944
1-(2,5-Xylyl)piperazine
CID 70542
2,2,4,7-Tetramethyl-1,2,3,4-tetrahydroquinoline
CID 101035
Quinoline, 1,2,3,4-tetrahydro-2,2,4-trimethyl-
CID 107292
6'-fluoro-4'-methyl-3',4'-dihydro-1'H-spiro[cyclopentane-1,2'-quinoline] hydrochloride
CID 17037736
1-(2-Isopropylphenyl)piperazine
CID 3608822
(4R,10aR)-4,7-Dimethyl-1,2,3,4,10,10a-hexahydro-pyrazino[1,2-a]indole
CID 20824945

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline?
The IUPAC name of 7-methyl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline (CID 70172969) is 7-methyl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline.
What is the SMILES notation for 7-methyl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline?
The canonical SMILES for 7-methyl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline is Cc1ccc2c(c1)NCC1CCCC21.
What is the InChIKey of 7-methyl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline?
The InChIKey is WFFCZGDJTIKJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-9-5-6-12-11-4-2-3-10(11)8-14-13(12)7-9/h5-7,10-11,14H,2-4,8H2,1H3.
What are the key properties of 7-methyl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline?
7-methyl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline has a molecular weight of 187.29 g/mol, XLogP of 3.30, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline is sourced from PubChem (CID 70172969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).