(3aS,9aR,9bR)-6,9a-dimethyl-3,3a,4,9b-tetrahydrocyclopenta[c]quinoline

C14H17N — CID 10965517

IUPAC(3aS,9aR,9bR)-6,9a-dimethyl-3,3a,4,9b-tetrahydrocyclopenta[c]quinoline
SMILESCC1=CC=C[C@@]2(C)C1=NC[C@H]1CC=C[C@H]12
InChIInChI=1S/C14H17N/c1-10-5-4-8-14(2)12-7-3-6-11(12)9-15-13(10)14/h3-5,7-8,11-12H,6,9H2,1-2H3/t11-,12-,14-/m1/s1
InChIKeyRBDMKKPTZOHTGU-YRGRVCCFSA-N
MW199.30 g/mol
LogP3.16
Rot. Bonds

About (3aS,9aR,9bR)-6,9a-dimethyl-3,3a,4,9b-tetrahydrocyclopenta[c]quinoline

(3aS,9aR,9bR)-6,9a-dimethyl-3,3a,4,9b-tetrahydrocyclopenta[c]quinoline (PubChem CID 10965517) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is (3aS,9aR,9bR)-6,9a-dimethyl-3,3a,4,9b-tetrahydrocyclopenta[c]quinoline.

Molecular Properties

Compound Name(3aS,9aR,9bR)-6,9a-dimethyl-3,3a,4,9b-tetrahydrocyclopenta[c]quinoline
PubChem CID10965517
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name(3aS,9aR,9bR)-6,9a-dimethyl-3,3a,4,9b-tetrahydrocyclopenta[c]quinoline
SMILESCC1=CC=C[C@@]2(C)C1=NC[C@H]1CC=C[C@H]12
InChIInChI=1S/C14H17N/c1-10-5-4-8-14(2)12-7-3-6-11(12)9-15-13(10)14/h3-5,7-8,11-12H,6,9H2,1-2H3/t11-,12-,14-/m1/s1
InChIKeyRBDMKKPTZOHTGU-YRGRVCCFSA-N
XLogP3.16
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (3aS,9aR,9bR)-6,9a-dimethyl-3,3a,4,9b-tetrahydrocyclopenta[c]quinoline with MolForge

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Related Compounds

CID 6445873
CID 6445873
2H-1-Pyridine, 5-(1-butenyl)-3,4,6,7-tetrahydro-3-methyl-, hydrochloride, (E)-(+)-
CID 6445872
(3aR,9aS,9bS)-6,9a-dimethyl-3,3a,4,9b-tetrahydrocyclopenta[c]quinoline
CID 134983011
5-[(E)-but-1-enyl]-3-methyl-3,4,6,7-tetrahydro-2H-cyclopenta[b]pyridine
CID 162980508
6,6-dimethyl-3,4,4a,5-tetrahydro-2H-quinoline
CID 13272643
5-[(2E)-1-tricyclo[9.2.2.02,10]pentadeca-2,12,14-trienyl]-3,4-dihydro-2H-pyrrole
CID 15920836
3-ethenyl-4,5,6-trimethyl-3a,7a-dihydro-1H-isoindole
CID 20634344
2,4,9a,9b-tetrahydro-1H-benzo[e]indole
CID 54265109
16-Azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,7,9(16),11,13-hexaene
CID 54509328
7,7-dimethyl-3,4,4a,8-tetrahydro-2H-quinoline
CID 57030181
2,2a,8,9-Tetrahydrobenzo[cd]indole
CID 57214759
iridium;N-methyl-1-(2,3,3-trimethyl-7H-inden-7-id-1-yl)ethanimine
CID 57687935

Frequently Asked Questions

What is the IUPAC name of (3aS,9aR,9bR)-6,9a-dimethyl-3,3a,4,9b-tetrahydrocyclopenta[c]quinoline?
The IUPAC name of (3aS,9aR,9bR)-6,9a-dimethyl-3,3a,4,9b-tetrahydrocyclopenta[c]quinoline (CID 10965517) is (3aS,9aR,9bR)-6,9a-dimethyl-3,3a,4,9b-tetrahydrocyclopenta[c]quinoline.
What is the SMILES notation for (3aS,9aR,9bR)-6,9a-dimethyl-3,3a,4,9b-tetrahydrocyclopenta[c]quinoline?
The canonical SMILES for (3aS,9aR,9bR)-6,9a-dimethyl-3,3a,4,9b-tetrahydrocyclopenta[c]quinoline is CC1=CC=C[C@@]2(C)C1=NC[C@H]1CC=C[C@H]12.
What is the InChIKey of (3aS,9aR,9bR)-6,9a-dimethyl-3,3a,4,9b-tetrahydrocyclopenta[c]quinoline?
The InChIKey is RBDMKKPTZOHTGU-YRGRVCCFSA-N. The full InChI is InChI=1S/C14H17N/c1-10-5-4-8-14(2)12-7-3-6-11(12)9-15-13(10)14/h3-5,7-8,11-12H,6,9H2,1-2H3/t11-,12-,14-/m1/s1.
What are the key properties of (3aS,9aR,9bR)-6,9a-dimethyl-3,3a,4,9b-tetrahydrocyclopenta[c]quinoline?
(3aS,9aR,9bR)-6,9a-dimethyl-3,3a,4,9b-tetrahydrocyclopenta[c]quinoline has a molecular weight of 199.30 g/mol, XLogP of 3.16, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,9aR,9bR)-6,9a-dimethyl-3,3a,4,9b-tetrahydrocyclopenta[c]quinoline is sourced from PubChem (CID 10965517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).