5,7-dimethyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine;ethane;methane

C13H29N — CID 157051839

IUPAC5,7-dimethyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine;ethane;methane
SMILESC.CC.CC1CC(C)C2NCCCC12
InChIInChI=1S/C10H19N.C2H6.CH4/c1-7-6-8(2)10-9(7)4-3-5-11-10;1-2;/h7-11H,3-6H2,1-2H3;1-2H3;1H4
InChIKeyAAHJNVXIQPYCNM-UHFFFAOYSA-N
MW199.38 g/mol
LogP3.69
Rot. Bonds

About 5,7-dimethyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine;ethane;methane

5,7-dimethyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine;ethane;methane (PubChem CID 157051839) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is 5,7-dimethyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine;ethane;methane.

Molecular Properties

Compound Name5,7-dimethyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine;ethane;methane
PubChem CID157051839
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC Name5,7-dimethyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine;ethane;methane
SMILESC.CC.CC1CC(C)C2NCCCC12
InChIInChI=1S/C10H19N.C2H6.CH4/c1-7-6-8(2)10-9(7)4-3-5-11-10;1-2;/h7-11H,3-6H2,1-2H3;1-2H3;1H4
InChIKeyAAHJNVXIQPYCNM-UHFFFAOYSA-N
XLogP3.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.38
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5,7-dimethyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine;ethane;methane with MolForge

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Launch Full Analysis

Related Compounds

7-methyl-2-azabicyclo[4.1.0]heptane
CID 117045891
(6S)-7,8-dimethyl-2-azabicyclo[4.2.0]octane
CID 155110799
(2S)-2-(2-methylcyclopropyl)pyrrolidine
CID 134335415
(1R,3S,3aS)-1,3-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 144941851
4-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-8-ol
CID 131131730
5,7-diiodo-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-8-ol
CID 140551820
8-(2,3,4,5-tetramethylcyclopentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
CID 162503082
2-cycloheptyl-3-methylpiperidine
CID 84720602
2-[(1S,4R,5R)-4,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]piperidin-3-ol
CID 143055461
2-methylpyrrolidine
CID 13003
2-methylpyrrolidine
CID 142041388
3-methyl-2-piperidin-2-ylpiperidine
CID 121218618

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine;ethane;methane?
The IUPAC name of 5,7-dimethyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine;ethane;methane (CID 157051839) is 5,7-dimethyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine;ethane;methane.
What is the SMILES notation for 5,7-dimethyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine;ethane;methane?
The canonical SMILES for 5,7-dimethyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine;ethane;methane is C.CC.CC1CC(C)C2NCCCC12.
What is the InChIKey of 5,7-dimethyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine;ethane;methane?
The InChIKey is AAHJNVXIQPYCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N.C2H6.CH4/c1-7-6-8(2)10-9(7)4-3-5-11-10;1-2;/h7-11H,3-6H2,1-2H3;1-2H3;1H4.
What are the key properties of 5,7-dimethyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine;ethane;methane?
5,7-dimethyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine;ethane;methane has a molecular weight of 199.38 g/mol, XLogP of 3.69, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine;ethane;methane is sourced from PubChem (CID 157051839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).