1,3-di(propan-2-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine

C14H27N — CID 67986230

IUPAC1,3-di(propan-2-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
SMILESCC(C)C1CC2CCCC2N(C(C)C)C1
InChIInChI=1S/C14H27N/c1-10(2)13-8-12-6-5-7-14(12)15(9-13)11(3)4/h10-14H,5-9H2,1-4H3
InChIKeyRCFMRILMPOOGLO-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.54
Rot. Bonds2

About 1,3-di(propan-2-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine

1,3-di(propan-2-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine (PubChem CID 67986230) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is 1,3-di(propan-2-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine.

Molecular Properties

Compound Name1,3-di(propan-2-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
PubChem CID67986230
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name1,3-di(propan-2-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
SMILESCC(C)C1CC2CCCC2N(C(C)C)C1
InChIInChI=1S/C14H27N/c1-10(2)13-8-12-6-5-7-14(12)15(9-13)11(3)4/h10-14H,5-9H2,1-4H3
InChIKeyRCFMRILMPOOGLO-UHFFFAOYSA-N
XLogP3.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-di(propan-2-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine?
The IUPAC name of 1,3-di(propan-2-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine (CID 67986230) is 1,3-di(propan-2-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine.
What is the SMILES notation for 1,3-di(propan-2-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine?
The canonical SMILES for 1,3-di(propan-2-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine is CC(C)C1CC2CCCC2N(C(C)C)C1.
What is the InChIKey of 1,3-di(propan-2-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine?
The InChIKey is RCFMRILMPOOGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-10(2)13-8-12-6-5-7-14(12)15(9-13)11(3)4/h10-14H,5-9H2,1-4H3.
What are the key properties of 1,3-di(propan-2-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine?
1,3-di(propan-2-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine has a molecular weight of 209.38 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-di(propan-2-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine is sourced from PubChem (CID 67986230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).