10-propan-2-yl-5,6-dihydrocycloocta[b]pyridine

C14H17N — CID 90738728

IUPAC10-propan-2-yl-5,6-dihydrocycloocta[b]pyridine
SMILESCC(C)C1=CC=CCCc2cccnc21
InChIInChI=1S/C14H17N/c1-11(2)13-9-5-3-4-7-12-8-6-10-15-14(12)13/h3,5-6,8-11H,4,7H2,1-2H3
InChIKeyUFFSYTYTGVTSLX-UHFFFAOYSA-N
MW199.30 g/mol
LogP3.62
Rot. Bonds1

About 10-propan-2-yl-5,6-dihydrocycloocta[b]pyridine

10-propan-2-yl-5,6-dihydrocycloocta[b]pyridine (PubChem CID 90738728) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is 10-propan-2-yl-5,6-dihydrocycloocta[b]pyridine.

Molecular Properties

Compound Name10-propan-2-yl-5,6-dihydrocycloocta[b]pyridine
PubChem CID90738728
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name10-propan-2-yl-5,6-dihydrocycloocta[b]pyridine
SMILESCC(C)C1=CC=CCCc2cccnc21
InChIInChI=1S/C14H17N/c1-11(2)13-9-5-3-4-7-12-8-6-10-15-14(12)13/h3,5-6,8-11H,4,7H2,1-2H3
InChIKeyUFFSYTYTGVTSLX-UHFFFAOYSA-N
XLogP3.62
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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5,6-dihydro-1,7-phenanthroline
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2-cyclohexa-1,3-dien-1-ylsulfanylpyridine
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Frequently Asked Questions

What is the IUPAC name of 10-propan-2-yl-5,6-dihydrocycloocta[b]pyridine?
The IUPAC name of 10-propan-2-yl-5,6-dihydrocycloocta[b]pyridine (CID 90738728) is 10-propan-2-yl-5,6-dihydrocycloocta[b]pyridine.
What is the SMILES notation for 10-propan-2-yl-5,6-dihydrocycloocta[b]pyridine?
The canonical SMILES for 10-propan-2-yl-5,6-dihydrocycloocta[b]pyridine is CC(C)C1=CC=CCCc2cccnc21.
What is the InChIKey of 10-propan-2-yl-5,6-dihydrocycloocta[b]pyridine?
The InChIKey is UFFSYTYTGVTSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N/c1-11(2)13-9-5-3-4-7-12-8-6-10-15-14(12)13/h3,5-6,8-11H,4,7H2,1-2H3.
What are the key properties of 10-propan-2-yl-5,6-dihydrocycloocta[b]pyridine?
10-propan-2-yl-5,6-dihydrocycloocta[b]pyridine has a molecular weight of 199.30 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-propan-2-yl-5,6-dihydrocycloocta[b]pyridine is sourced from PubChem (CID 90738728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).