5,5-dimethyl-1,2,3,4,4a,6,7,7a-octahydrocyclopenta[c]pyridine

C10H19N — CID 176945855

IUPAC5,5-dimethyl-1,2,3,4,4a,6,7,7a-octahydrocyclopenta[c]pyridine
SMILESCC1(C)CCC2CNCCC21
InChIInChI=1S/C10H19N/c1-10(2)5-3-8-7-11-6-4-9(8)10/h8-9,11H,3-7H2,1-2H3
InChIKeyDMRLDHZQAKQUOO-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.03
Rot. Bonds

About 5,5-dimethyl-1,2,3,4,4a,6,7,7a-octahydrocyclopenta[c]pyridine

5,5-dimethyl-1,2,3,4,4a,6,7,7a-octahydrocyclopenta[c]pyridine (PubChem CID 176945855) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 5,5-dimethyl-1,2,3,4,4a,6,7,7a-octahydrocyclopenta[c]pyridine.

Molecular Properties

Compound Name5,5-dimethyl-1,2,3,4,4a,6,7,7a-octahydrocyclopenta[c]pyridine
PubChem CID176945855
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name5,5-dimethyl-1,2,3,4,4a,6,7,7a-octahydrocyclopenta[c]pyridine
SMILESCC1(C)CCC2CNCCC21
InChIInChI=1S/C10H19N/c1-10(2)5-3-8-7-11-6-4-9(8)10/h8-9,11H,3-7H2,1-2H3
InChIKeyDMRLDHZQAKQUOO-UHFFFAOYSA-N
XLogP2.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5,5-dimethyl-1,2,3,4,4a,6,7,7a-octahydrocyclopenta[c]pyridine with MolForge

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Related Compounds

(3S)-3-[(1R)-2,2-dimethylcyclopentyl]pyrrolidine
CID 124512269
(4aR,8aS)-5,5-difluoro-2,3,4,4a,6,7,8,8a-octahydro-1H-isoquinoline;hydrochloride
CID 155819804
1,2,3,4,4a,5,6,7,8,8a-decahydro-2,6-naphthyridine
CID 5255831
1-methyl-4-piperidin-3-ylcyclohexan-1-ol
CID 84733509
(3aS,6aS)-4,4-difluoro-2,3,3a,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 96581646
(4aR,8aR)-6,6-dimethoxy-2,3,4,4a,5,7,8,8a-octahydro-1H-isoquinoline
CID 66554166
4,4-dimethyl-1,3,3a,5,6,6a-hexahydrocyclopenta[c]furan
CID 130381830
acetic acid;3,3-dimethyl-1,2,3a,4,5,6,7,7a-octahydroindene
CID 174905675
3-(2,2-difluoro-3-methylcyclopropyl)pyrrolidine
CID 126845218
(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-c]pyridine
CID 82418792
(1R,6S)-7,7-dibromo-3-azabicyclo[4.1.0]heptane
CID 124708671
1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;ethane
CID 142260650

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1,2,3,4,4a,6,7,7a-octahydrocyclopenta[c]pyridine?
The IUPAC name of 5,5-dimethyl-1,2,3,4,4a,6,7,7a-octahydrocyclopenta[c]pyridine (CID 176945855) is 5,5-dimethyl-1,2,3,4,4a,6,7,7a-octahydrocyclopenta[c]pyridine.
What is the SMILES notation for 5,5-dimethyl-1,2,3,4,4a,6,7,7a-octahydrocyclopenta[c]pyridine?
The canonical SMILES for 5,5-dimethyl-1,2,3,4,4a,6,7,7a-octahydrocyclopenta[c]pyridine is CC1(C)CCC2CNCCC21.
What is the InChIKey of 5,5-dimethyl-1,2,3,4,4a,6,7,7a-octahydrocyclopenta[c]pyridine?
The InChIKey is DMRLDHZQAKQUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-10(2)5-3-8-7-11-6-4-9(8)10/h8-9,11H,3-7H2,1-2H3.
What are the key properties of 5,5-dimethyl-1,2,3,4,4a,6,7,7a-octahydrocyclopenta[c]pyridine?
5,5-dimethyl-1,2,3,4,4a,6,7,7a-octahydrocyclopenta[c]pyridine has a molecular weight of 153.27 g/mol, XLogP of 2.03, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1,2,3,4,4a,6,7,7a-octahydrocyclopenta[c]pyridine is sourced from PubChem (CID 176945855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).