1-tert-butyl-2,4,6-trimethylazocane

C14H29N — CID 166882089

IUPAC1-tert-butyl-2,4,6-trimethylazocane
SMILESCC1CCN(C(C)(C)C)C(C)CC(C)C1
InChIInChI=1S/C14H29N/c1-11-7-8-15(14(4,5)6)13(3)10-12(2)9-11/h11-13H,7-10H2,1-6H3
InChIKeyQOPHRSFZXCFKSS-UHFFFAOYSA-N
MW211.39 g/mol
LogP3.93
Rot. Bonds

About 1-tert-butyl-2,4,6-trimethylazocane

1-tert-butyl-2,4,6-trimethylazocane (PubChem CID 166882089) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is 1-tert-butyl-2,4,6-trimethylazocane.

Molecular Properties

Compound Name1-tert-butyl-2,4,6-trimethylazocane
PubChem CID166882089
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Name1-tert-butyl-2,4,6-trimethylazocane
SMILESCC1CCN(C(C)(C)C)C(C)CC(C)C1
InChIInChI=1S/C14H29N/c1-11-7-8-15(14(4,5)6)13(3)10-12(2)9-11/h11-13H,7-10H2,1-6H3
InChIKeyQOPHRSFZXCFKSS-UHFFFAOYSA-N
XLogP3.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2,4,6-trimethylazocane?
The IUPAC name of 1-tert-butyl-2,4,6-trimethylazocane (CID 166882089) is 1-tert-butyl-2,4,6-trimethylazocane.
What is the SMILES notation for 1-tert-butyl-2,4,6-trimethylazocane?
The canonical SMILES for 1-tert-butyl-2,4,6-trimethylazocane is CC1CCN(C(C)(C)C)C(C)CC(C)C1.
What is the InChIKey of 1-tert-butyl-2,4,6-trimethylazocane?
The InChIKey is QOPHRSFZXCFKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-11-7-8-15(14(4,5)6)13(3)10-12(2)9-11/h11-13H,7-10H2,1-6H3.
What are the key properties of 1-tert-butyl-2,4,6-trimethylazocane?
1-tert-butyl-2,4,6-trimethylazocane has a molecular weight of 211.39 g/mol, XLogP of 3.93, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2,4,6-trimethylazocane is sourced from PubChem (CID 166882089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).