3-(2-methylpentan-2-yl)-6,7,8,9,10,11-hexahydro-5H-cyclonona[b]pyridine

C18H29N — CID 155063764

IUPAC3-(2-methylpentan-2-yl)-6,7,8,9,10,11-hexahydro-5H-cyclonona[b]pyridine
SMILESCCCC(C)(C)c1cnc2c(c1)CCCCCCC2
InChIInChI=1S/C18H29N/c1-4-12-18(2,3)16-13-15-10-8-6-5-7-9-11-17(15)19-14-16/h13-14H,4-12H2,1-3H3
InChIKeyKVSYGUIHMJUDMG-UHFFFAOYSA-N
MW259.44 g/mol
LogP5.21
Rot. Bonds3

About 3-(2-methylpentan-2-yl)-6,7,8,9,10,11-hexahydro-5H-cyclonona[b]pyridine

3-(2-methylpentan-2-yl)-6,7,8,9,10,11-hexahydro-5H-cyclonona[b]pyridine (PubChem CID 155063764) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 3-(2-methylpentan-2-yl)-6,7,8,9,10,11-hexahydro-5H-cyclonona[b]pyridine.

Molecular Properties

Compound Name3-(2-methylpentan-2-yl)-6,7,8,9,10,11-hexahydro-5H-cyclonona[b]pyridine
PubChem CID155063764
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name3-(2-methylpentan-2-yl)-6,7,8,9,10,11-hexahydro-5H-cyclonona[b]pyridine
SMILESCCCC(C)(C)c1cnc2c(c1)CCCCCCC2
InChIInChI=1S/C18H29N/c1-4-12-18(2,3)16-13-15-10-8-6-5-7-9-11-17(15)19-14-16/h13-14H,4-12H2,1-3H3
InChIKeyKVSYGUIHMJUDMG-UHFFFAOYSA-N
XLogP5.21
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.44
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpentan-2-yl)-6,7,8,9,10,11-hexahydro-5H-cyclonona[b]pyridine?
The IUPAC name of 3-(2-methylpentan-2-yl)-6,7,8,9,10,11-hexahydro-5H-cyclonona[b]pyridine (CID 155063764) is 3-(2-methylpentan-2-yl)-6,7,8,9,10,11-hexahydro-5H-cyclonona[b]pyridine.
What is the SMILES notation for 3-(2-methylpentan-2-yl)-6,7,8,9,10,11-hexahydro-5H-cyclonona[b]pyridine?
The canonical SMILES for 3-(2-methylpentan-2-yl)-6,7,8,9,10,11-hexahydro-5H-cyclonona[b]pyridine is CCCC(C)(C)c1cnc2c(c1)CCCCCCC2.
What is the InChIKey of 3-(2-methylpentan-2-yl)-6,7,8,9,10,11-hexahydro-5H-cyclonona[b]pyridine?
The InChIKey is KVSYGUIHMJUDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-4-12-18(2,3)16-13-15-10-8-6-5-7-9-11-17(15)19-14-16/h13-14H,4-12H2,1-3H3.
What are the key properties of 3-(2-methylpentan-2-yl)-6,7,8,9,10,11-hexahydro-5H-cyclonona[b]pyridine?
3-(2-methylpentan-2-yl)-6,7,8,9,10,11-hexahydro-5H-cyclonona[b]pyridine has a molecular weight of 259.44 g/mol, XLogP of 5.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpentan-2-yl)-6,7,8,9,10,11-hexahydro-5H-cyclonona[b]pyridine is sourced from PubChem (CID 155063764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).