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

C13H27N — CID 164599271

IUPACethane;6-propan-2-yl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine
SMILESCC.CC(C)C1CC2CCNCC2C1
InChIInChI=1S/C11H21N.C2H6/c1-8(2)10-5-9-3-4-12-7-11(9)6-10;1-2/h8-12H,3-7H2,1-2H3;1-2H3
InChIKeyWCZAXOPOYLLZJJ-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.30
Rot. Bonds1

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

ethane;6-propan-2-yl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine (PubChem CID 164599271) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is ethane;6-propan-2-yl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine.

Molecular Properties

Compound Nameethane;6-propan-2-yl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine
PubChem CID164599271
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Nameethane;6-propan-2-yl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine
SMILESCC.CC(C)C1CC2CCNCC2C1
InChIInChI=1S/C11H21N.C2H6/c1-8(2)10-5-9-3-4-12-7-11(9)6-10;1-2/h8-12H,3-7H2,1-2H3;1-2H3
InChIKeyWCZAXOPOYLLZJJ-UHFFFAOYSA-N
XLogP3.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

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Related Compounds

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
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
1,2,3,4,4a,5,6,7,8,8a-decahydro-2,6-naphthyridine
CID 5255831
molecular hydrogen;3-propan-2-ylpyrrolidine;hydrofluoride
CID 168909701
1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;ethane
CID 142260650
(4aR,7R)-7-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline
CID 167133847
(3R)-3-(1-iodoethyl)pyrrolidine
CID 89293649
3-cyclopropylpyrrolidine;hydrochloride
CID 162517794
6-propan-2-yl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
CID 168995872
(4aR,6R,8aR)-6-bromo-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline
CID 11887489
N-methyl-1-[(3S)-pyrrolidin-3-yl]ethanamine
CID 70272075
1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-6-amine
CID 135184580

Frequently Asked Questions

What is the IUPAC name of ethane;6-propan-2-yl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine?
The IUPAC name of ethane;6-propan-2-yl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine (CID 164599271) is ethane;6-propan-2-yl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine.
What is the SMILES notation for ethane;6-propan-2-yl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine?
The canonical SMILES for ethane;6-propan-2-yl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine is CC.CC(C)C1CC2CCNCC2C1.
What is the InChIKey of ethane;6-propan-2-yl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine?
The InChIKey is WCZAXOPOYLLZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N.C2H6/c1-8(2)10-5-9-3-4-12-7-11(9)6-10;1-2/h8-12H,3-7H2,1-2H3;1-2H3.
What are the key properties of ethane;6-propan-2-yl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine?
ethane;6-propan-2-yl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine has a molecular weight of 197.37 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-propan-2-yl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine is sourced from PubChem (CID 164599271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).