2,2,7,7-tetraethylazepane

C14H29N — CID 141391729

IUPAC2,2,7,7-tetraethylazepane
SMILESCCC1(CC)CCCCC(CC)(CC)N1
InChIInChI=1S/C14H29N/c1-5-13(6-2)11-9-10-12-14(7-3,8-4)15-13/h15H,5-12H2,1-4H3
InChIKeyXITDZIVMENTGQS-UHFFFAOYSA-N
MW211.39 g/mol
LogP4.27
Rot. Bonds4

About 2,2,7,7-tetraethylazepane

2,2,7,7-tetraethylazepane (PubChem CID 141391729) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is 2,2,7,7-tetraethylazepane.

Molecular Properties

Compound Name2,2,7,7-tetraethylazepane
PubChem CID141391729
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Name2,2,7,7-tetraethylazepane
SMILESCCC1(CC)CCCCC(CC)(CC)N1
InChIInChI=1S/C14H29N/c1-5-13(6-2)11-9-10-12-14(7-3,8-4)15-13/h15H,5-12H2,1-4H3
InChIKeyXITDZIVMENTGQS-UHFFFAOYSA-N
XLogP4.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,7,7-tetraethylazepane?
The IUPAC name of 2,2,7,7-tetraethylazepane (CID 141391729) is 2,2,7,7-tetraethylazepane.
What is the SMILES notation for 2,2,7,7-tetraethylazepane?
The canonical SMILES for 2,2,7,7-tetraethylazepane is CCC1(CC)CCCCC(CC)(CC)N1.
What is the InChIKey of 2,2,7,7-tetraethylazepane?
The InChIKey is XITDZIVMENTGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-5-13(6-2)11-9-10-12-14(7-3,8-4)15-13/h15H,5-12H2,1-4H3.
What are the key properties of 2,2,7,7-tetraethylazepane?
2,2,7,7-tetraethylazepane has a molecular weight of 211.39 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,7,7-tetraethylazepane is sourced from PubChem (CID 141391729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).