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

C13H29N — CID 156888841

IUPACethane;2-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
SMILESCC.CC.CC1CCC2CCCC2N1
InChIInChI=1S/C9H17N.2C2H6/c1-7-5-6-8-3-2-4-9(8)10-7;2*1-2/h7-10H,2-6H2,1H3;2*1-2H3
InChIKeyGXXIAQDJZTZAKE-UHFFFAOYSA-N
MW199.38 g/mol
LogP3.98
Rot. Bonds

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

ethane;2-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine (PubChem CID 156888841) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is ethane;2-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine.

Molecular Properties

Compound Nameethane;2-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
PubChem CID156888841
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC Nameethane;2-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine
SMILESCC.CC.CC1CCC2CCCC2N1
InChIInChI=1S/C9H17N.2C2H6/c1-7-5-6-8-3-2-4-9(8)10-7;2*1-2/h7-10H,2-6H2,1H3;2*1-2H3
InChIKeyGXXIAQDJZTZAKE-UHFFFAOYSA-N
XLogP3.98
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 ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine?
The IUPAC name of ethane;2-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine (CID 156888841) is ethane;2-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine.
What is the SMILES notation for ethane;2-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine?
The canonical SMILES for ethane;2-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine is CC.CC.CC1CCC2CCCC2N1.
What is the InChIKey of ethane;2-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine?
The InChIKey is GXXIAQDJZTZAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N.2C2H6/c1-7-5-6-8-3-2-4-9(8)10-7;2*1-2/h7-10H,2-6H2,1H3;2*1-2H3.
What are the key properties of ethane;2-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine?
ethane;2-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine has a molecular weight of 199.38 g/mol, XLogP of 3.98, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[b]pyridine is sourced from PubChem (CID 156888841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).