2,6-diethyl-1,4,4,8,8,10-hexamethylazecane

C19H39N — CID 123697519

IUPAC2,6-diethyl-1,4,4,8,8,10-hexamethylazecane
SMILESCCC1CC(C)(C)CC(C)N(C)C(CC)CC(C)(C)C1
InChIInChI=1S/C19H39N/c1-9-16-12-18(4,5)11-15(3)20(8)17(10-2)14-19(6,7)13-16/h15-17H,9-14H2,1-8H3
InChIKeyNBKZWPDCXWHZBO-UHFFFAOYSA-N
MW281.53 g/mol
LogP5.74
Rot. Bonds2

About 2,6-diethyl-1,4,4,8,8,10-hexamethylazecane

2,6-diethyl-1,4,4,8,8,10-hexamethylazecane (PubChem CID 123697519) has the molecular formula C19H39N and a molecular weight of 281.53 g/mol. Its IUPAC name is 2,6-diethyl-1,4,4,8,8,10-hexamethylazecane.

Molecular Properties

Compound Name2,6-diethyl-1,4,4,8,8,10-hexamethylazecane
PubChem CID123697519
Molecular FormulaC19H39N
Molecular Weight281.53 g/mol
Exact Mass281.31
IUPAC Name2,6-diethyl-1,4,4,8,8,10-hexamethylazecane
SMILESCCC1CC(C)(C)CC(C)N(C)C(CC)CC(C)(C)C1
InChIInChI=1S/C19H39N/c1-9-16-12-18(4,5)11-15(3)20(8)17(10-2)14-19(6,7)13-16/h15-17H,9-14H2,1-8H3
InChIKeyNBKZWPDCXWHZBO-UHFFFAOYSA-N
XLogP5.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.53
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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4-ethyl-2-heptyl-1,6-dimethylpiperidine
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(2R)-1,2,4,4-tetramethylpyrrolidine
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ethane;propane;1,1,3-trimethylcyclobutane
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3-ethyl-1,1-difluorocyclobutane
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Frequently Asked Questions

What is the IUPAC name of 2,6-diethyl-1,4,4,8,8,10-hexamethylazecane?
The IUPAC name of 2,6-diethyl-1,4,4,8,8,10-hexamethylazecane (CID 123697519) is 2,6-diethyl-1,4,4,8,8,10-hexamethylazecane.
What is the SMILES notation for 2,6-diethyl-1,4,4,8,8,10-hexamethylazecane?
The canonical SMILES for 2,6-diethyl-1,4,4,8,8,10-hexamethylazecane is CCC1CC(C)(C)CC(C)N(C)C(CC)CC(C)(C)C1.
What is the InChIKey of 2,6-diethyl-1,4,4,8,8,10-hexamethylazecane?
The InChIKey is NBKZWPDCXWHZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N/c1-9-16-12-18(4,5)11-15(3)20(8)17(10-2)14-19(6,7)13-16/h15-17H,9-14H2,1-8H3.
What are the key properties of 2,6-diethyl-1,4,4,8,8,10-hexamethylazecane?
2,6-diethyl-1,4,4,8,8,10-hexamethylazecane has a molecular weight of 281.53 g/mol, XLogP of 5.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diethyl-1,4,4,8,8,10-hexamethylazecane is sourced from PubChem (CID 123697519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).