2-propan-2-yl-4a,5,6,7,8,9,10,10a-octahydrocycloocta[b]pyridine

C14H23N — CID 134211928

IUPAC2-propan-2-yl-4a,5,6,7,8,9,10,10a-octahydrocycloocta[b]pyridine
SMILESCC(C)C1=NC2CCCCCCC2C=C1
InChIInChI=1S/C14H23N/c1-11(2)13-10-9-12-7-5-3-4-6-8-14(12)15-13/h9-12,14H,3-8H2,1-2H3
InChIKeyXRQFUIXWZDDIAS-UHFFFAOYSA-N
MW205.35 g/mol
LogP3.99
Rot. Bonds1

About 2-propan-2-yl-4a,5,6,7,8,9,10,10a-octahydrocycloocta[b]pyridine

2-propan-2-yl-4a,5,6,7,8,9,10,10a-octahydrocycloocta[b]pyridine (PubChem CID 134211928) has the molecular formula C14H23N and a molecular weight of 205.35 g/mol. Its IUPAC name is 2-propan-2-yl-4a,5,6,7,8,9,10,10a-octahydrocycloocta[b]pyridine.

Molecular Properties

Compound Name2-propan-2-yl-4a,5,6,7,8,9,10,10a-octahydrocycloocta[b]pyridine
PubChem CID134211928
Molecular FormulaC14H23N
Molecular Weight205.35 g/mol
Exact Mass205.18
IUPAC Name2-propan-2-yl-4a,5,6,7,8,9,10,10a-octahydrocycloocta[b]pyridine
SMILESCC(C)C1=NC2CCCCCCC2C=C1
InChIInChI=1S/C14H23N/c1-11(2)13-10-9-12-7-5-3-4-6-8-14(12)15-13/h9-12,14H,3-8H2,1-2H3
InChIKeyXRQFUIXWZDDIAS-UHFFFAOYSA-N
XLogP3.99
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.35
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4a,5,6,7,8,9,10,10a-octahydrocycloocta[b]pyridine?
The IUPAC name of 2-propan-2-yl-4a,5,6,7,8,9,10,10a-octahydrocycloocta[b]pyridine (CID 134211928) is 2-propan-2-yl-4a,5,6,7,8,9,10,10a-octahydrocycloocta[b]pyridine.
What is the SMILES notation for 2-propan-2-yl-4a,5,6,7,8,9,10,10a-octahydrocycloocta[b]pyridine?
The canonical SMILES for 2-propan-2-yl-4a,5,6,7,8,9,10,10a-octahydrocycloocta[b]pyridine is CC(C)C1=NC2CCCCCCC2C=C1.
What is the InChIKey of 2-propan-2-yl-4a,5,6,7,8,9,10,10a-octahydrocycloocta[b]pyridine?
The InChIKey is XRQFUIXWZDDIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-11(2)13-10-9-12-7-5-3-4-6-8-14(12)15-13/h9-12,14H,3-8H2,1-2H3.
What are the key properties of 2-propan-2-yl-4a,5,6,7,8,9,10,10a-octahydrocycloocta[b]pyridine?
2-propan-2-yl-4a,5,6,7,8,9,10,10a-octahydrocycloocta[b]pyridine has a molecular weight of 205.35 g/mol, XLogP of 3.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4a,5,6,7,8,9,10,10a-octahydrocycloocta[b]pyridine is sourced from PubChem (CID 134211928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).