5-ethyl-2,2,4,7,7-pentamethylazocane

C14H29N — CID 70943103

IUPAC5-ethyl-2,2,4,7,7-pentamethylazocane
SMILESCCC1CC(C)(C)CNC(C)(C)CC1C
InChIInChI=1S/C14H29N/c1-7-12-9-13(3,4)10-15-14(5,6)8-11(12)2/h11-12,15H,7-10H2,1-6H3
InChIKeyHTJGUKASNLFMDQ-UHFFFAOYSA-N
MW211.39 g/mol
LogP3.84
Rot. Bonds1

About 5-ethyl-2,2,4,7,7-pentamethylazocane

5-ethyl-2,2,4,7,7-pentamethylazocane (PubChem CID 70943103) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is 5-ethyl-2,2,4,7,7-pentamethylazocane.

Molecular Properties

Compound Name5-ethyl-2,2,4,7,7-pentamethylazocane
PubChem CID70943103
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Name5-ethyl-2,2,4,7,7-pentamethylazocane
SMILESCCC1CC(C)(C)CNC(C)(C)CC1C
InChIInChI=1S/C14H29N/c1-7-12-9-13(3,4)10-15-14(5,6)8-11(12)2/h11-12,15H,7-10H2,1-6H3
InChIKeyHTJGUKASNLFMDQ-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,2,4,7,7-pentamethylazocane?
The IUPAC name of 5-ethyl-2,2,4,7,7-pentamethylazocane (CID 70943103) is 5-ethyl-2,2,4,7,7-pentamethylazocane.
What is the SMILES notation for 5-ethyl-2,2,4,7,7-pentamethylazocane?
The canonical SMILES for 5-ethyl-2,2,4,7,7-pentamethylazocane is CCC1CC(C)(C)CNC(C)(C)CC1C.
What is the InChIKey of 5-ethyl-2,2,4,7,7-pentamethylazocane?
The InChIKey is HTJGUKASNLFMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-7-12-9-13(3,4)10-15-14(5,6)8-11(12)2/h11-12,15H,7-10H2,1-6H3.
What are the key properties of 5-ethyl-2,2,4,7,7-pentamethylazocane?
5-ethyl-2,2,4,7,7-pentamethylazocane has a molecular weight of 211.39 g/mol, XLogP of 3.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,2,4,7,7-pentamethylazocane is sourced from PubChem (CID 70943103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).