1,7-dimethyl-2,3,4,4a,5,7a-hexahydrocyclopenta[b]pyridine

C10H17N — CID 89385946

IUPAC1,7-dimethyl-2,3,4,4a,5,7a-hexahydrocyclopenta[b]pyridine
SMILESCC1=CCC2CCCN(C)C12
InChIInChI=1S/C10H17N/c1-8-5-6-9-4-3-7-11(2)10(8)9/h5,9-10H,3-4,6-7H2,1-2H3
InChIKeyYILKHCLGUSCQBY-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.05
Rot. Bonds

About 1,7-dimethyl-2,3,4,4a,5,7a-hexahydrocyclopenta[b]pyridine

1,7-dimethyl-2,3,4,4a,5,7a-hexahydrocyclopenta[b]pyridine (PubChem CID 89385946) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 1,7-dimethyl-2,3,4,4a,5,7a-hexahydrocyclopenta[b]pyridine.

Molecular Properties

Compound Name1,7-dimethyl-2,3,4,4a,5,7a-hexahydrocyclopenta[b]pyridine
PubChem CID89385946
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name1,7-dimethyl-2,3,4,4a,5,7a-hexahydrocyclopenta[b]pyridine
SMILESCC1=CCC2CCCN(C)C12
InChIInChI=1S/C10H17N/c1-8-5-6-9-4-3-7-11(2)10(8)9/h5,9-10H,3-4,6-7H2,1-2H3
InChIKeyYILKHCLGUSCQBY-UHFFFAOYSA-N
XLogP2.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,7-dimethyl-2,3,4,4a,5,7a-hexahydrocyclopenta[b]pyridine?
The IUPAC name of 1,7-dimethyl-2,3,4,4a,5,7a-hexahydrocyclopenta[b]pyridine (CID 89385946) is 1,7-dimethyl-2,3,4,4a,5,7a-hexahydrocyclopenta[b]pyridine.
What is the SMILES notation for 1,7-dimethyl-2,3,4,4a,5,7a-hexahydrocyclopenta[b]pyridine?
The canonical SMILES for 1,7-dimethyl-2,3,4,4a,5,7a-hexahydrocyclopenta[b]pyridine is CC1=CCC2CCCN(C)C12.
What is the InChIKey of 1,7-dimethyl-2,3,4,4a,5,7a-hexahydrocyclopenta[b]pyridine?
The InChIKey is YILKHCLGUSCQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-8-5-6-9-4-3-7-11(2)10(8)9/h5,9-10H,3-4,6-7H2,1-2H3.
What are the key properties of 1,7-dimethyl-2,3,4,4a,5,7a-hexahydrocyclopenta[b]pyridine?
1,7-dimethyl-2,3,4,4a,5,7a-hexahydrocyclopenta[b]pyridine has a molecular weight of 151.25 g/mol, XLogP of 2.05, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethyl-2,3,4,4a,5,7a-hexahydrocyclopenta[b]pyridine is sourced from PubChem (CID 89385946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).