4,5-diethyl-1,2,2,6,8,8-hexamethylazonane

C18H37N — CID 71091409

IUPAC4,5-diethyl-1,2,2,6,8,8-hexamethylazonane
SMILESCCC1CC(C)(C)N(C)CC(C)(C)CC(C)C1CC
InChIInChI=1S/C18H37N/c1-9-15-12-18(6,7)19(8)13-17(4,5)11-14(3)16(15)10-2/h14-16H,9-13H2,1-8H3
InChIKeyMHOGWYWKDFXQJM-UHFFFAOYSA-N
MW267.50 g/mol
LogP5.21
Rot. Bonds2

About 4,5-diethyl-1,2,2,6,8,8-hexamethylazonane

4,5-diethyl-1,2,2,6,8,8-hexamethylazonane (PubChem CID 71091409) has the molecular formula C18H37N and a molecular weight of 267.50 g/mol. Its IUPAC name is 4,5-diethyl-1,2,2,6,8,8-hexamethylazonane.

Molecular Properties

Compound Name4,5-diethyl-1,2,2,6,8,8-hexamethylazonane
PubChem CID71091409
Molecular FormulaC18H37N
Molecular Weight267.50 g/mol
Exact Mass267.29
IUPAC Name4,5-diethyl-1,2,2,6,8,8-hexamethylazonane
SMILESCCC1CC(C)(C)N(C)CC(C)(C)CC(C)C1CC
InChIInChI=1S/C18H37N/c1-9-15-12-18(6,7)19(8)13-17(4,5)11-14(3)16(15)10-2/h14-16H,9-13H2,1-8H3
InChIKeyMHOGWYWKDFXQJM-UHFFFAOYSA-N
XLogP5.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.50
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,5-diethyl-1,2,2,6,8,8-hexamethylazonane?
The IUPAC name of 4,5-diethyl-1,2,2,6,8,8-hexamethylazonane (CID 71091409) is 4,5-diethyl-1,2,2,6,8,8-hexamethylazonane.
What is the SMILES notation for 4,5-diethyl-1,2,2,6,8,8-hexamethylazonane?
The canonical SMILES for 4,5-diethyl-1,2,2,6,8,8-hexamethylazonane is CCC1CC(C)(C)N(C)CC(C)(C)CC(C)C1CC.
What is the InChIKey of 4,5-diethyl-1,2,2,6,8,8-hexamethylazonane?
The InChIKey is MHOGWYWKDFXQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N/c1-9-15-12-18(6,7)19(8)13-17(4,5)11-14(3)16(15)10-2/h14-16H,9-13H2,1-8H3.
What are the key properties of 4,5-diethyl-1,2,2,6,8,8-hexamethylazonane?
4,5-diethyl-1,2,2,6,8,8-hexamethylazonane has a molecular weight of 267.50 g/mol, XLogP of 5.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diethyl-1,2,2,6,8,8-hexamethylazonane is sourced from PubChem (CID 71091409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).