7-ethyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine;7-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline

C22H42N2 — CID 168996029

IUPAC7-ethyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine;7-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline
SMILESCC(C)C1CCC2CCNCC2C1.CCC1CCC2CCNCC12
InChIInChI=1S/C12H23N.C10H19N/c1-9(2)11-4-3-10-5-6-13-8-12(10)7-11;1-2-8-3-4-9-5-6-11-7-10(8)9/h9-13H,3-8H2,1-2H3;8-11H,2-7H2,1H3
InChIKeyQJIJCRACWPIQCS-UHFFFAOYSA-N
MW334.59 g/mol
LogP4.70
Rot. Bonds2

About 7-ethyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine;7-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline

7-ethyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine;7-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline (PubChem CID 168996029) has the molecular formula C22H42N2 and a molecular weight of 334.59 g/mol. Its IUPAC name is 7-ethyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine;7-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline.

Molecular Properties

Compound Name7-ethyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine;7-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline
PubChem CID168996029
Molecular FormulaC22H42N2
Molecular Weight334.59 g/mol
Exact Mass334.33
IUPAC Name7-ethyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine;7-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline
SMILESCC(C)C1CCC2CCNCC2C1.CCC1CCC2CCNCC12
InChIInChI=1S/C12H23N.C10H19N/c1-9(2)11-4-3-10-5-6-13-8-12(10)7-11;1-2-8-3-4-9-5-6-11-7-10(8)9/h9-13H,3-8H2,1-2H3;8-11H,2-7H2,1H3
InChIKeyQJIJCRACWPIQCS-UHFFFAOYSA-N
XLogP4.70
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.59
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 7-ethyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine;7-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;6-propan-2-yl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine
CID 164599271
1-ethyl-2-methyl-4-propan-2-ylcyclohexane
CID 90923816
6-tert-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;5-tert-butyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole;6-tert-butyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine;5-tert-butyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;7-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;2-propan-2-yl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 158694990
4-(2-ethylcyclohexyl)piperidine
CID 106779195
5-(4-propan-2-ylcyclohexyl)piperidine-3-carboxylic acid
CID 165455355
(4aR,7R)-7-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline
CID 167133847
(2R,4aS,8aR)-2-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 129374932
3-cyclopropylpyrrolidine;hydrochloride
CID 162517794
(1R,6S,8R)-3-azabicyclo[4.2.0]octan-8-amine
CID 22862086
(4aS,7R,7aS)-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridin-7-amine;hydrochloride
CID 155905230
6-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole
CID 83905624
2-ethyl-4-propan-2-ylcyclohexan-1-ol
CID 58534339

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine;7-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline?
The IUPAC name of 7-ethyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine;7-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline (CID 168996029) is 7-ethyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine;7-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline.
What is the SMILES notation for 7-ethyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine;7-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline?
The canonical SMILES for 7-ethyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine;7-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline is CC(C)C1CCC2CCNCC2C1.CCC1CCC2CCNCC12.
What is the InChIKey of 7-ethyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine;7-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline?
The InChIKey is QJIJCRACWPIQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N.C10H19N/c1-9(2)11-4-3-10-5-6-13-8-12(10)7-11;1-2-8-3-4-9-5-6-11-7-10(8)9/h9-13H,3-8H2,1-2H3;8-11H,2-7H2,1H3.
What are the key properties of 7-ethyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine;7-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline?
7-ethyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine;7-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline has a molecular weight of 334.59 g/mol, XLogP of 4.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine;7-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline is sourced from PubChem (CID 168996029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).