2-ethyl-5-methyl-1-propyl-azacycloundecane

C16H33N — CID 123350465

IUPAC2-ethyl-5-methyl-1-propyl-azacycloundecane
SMILESCCCN1CCCCCCC(C)CCC1CC
InChIInChI=1S/C16H33N/c1-4-13-17-14-9-7-6-8-10-15(3)11-12-16(17)5-2/h15-16H,4-14H2,1-3H3
InChIKeyIWGGXMXKWGTRRF-UHFFFAOYSA-N
MW239.45 g/mol
LogP4.86
Rot. Bonds3

About 2-ethyl-5-methyl-1-propyl-azacycloundecane

2-ethyl-5-methyl-1-propyl-azacycloundecane (PubChem CID 123350465) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is 2-ethyl-5-methyl-1-propyl-azacycloundecane.

Molecular Properties

Compound Name2-ethyl-5-methyl-1-propyl-azacycloundecane
PubChem CID123350465
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC Name2-ethyl-5-methyl-1-propyl-azacycloundecane
SMILESCCCN1CCCCCCC(C)CCC1CC
InChIInChI=1S/C16H33N/c1-4-13-17-14-9-7-6-8-10-15(3)11-12-16(17)5-2/h15-16H,4-14H2,1-3H3
InChIKeyIWGGXMXKWGTRRF-UHFFFAOYSA-N
XLogP4.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.45
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-1-propyl-azacycloundecane?
The IUPAC name of 2-ethyl-5-methyl-1-propyl-azacycloundecane (CID 123350465) is 2-ethyl-5-methyl-1-propyl-azacycloundecane.
What is the SMILES notation for 2-ethyl-5-methyl-1-propyl-azacycloundecane?
The canonical SMILES for 2-ethyl-5-methyl-1-propyl-azacycloundecane is CCCN1CCCCCCC(C)CCC1CC.
What is the InChIKey of 2-ethyl-5-methyl-1-propyl-azacycloundecane?
The InChIKey is IWGGXMXKWGTRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-4-13-17-14-9-7-6-8-10-15(3)11-12-16(17)5-2/h15-16H,4-14H2,1-3H3.
What are the key properties of 2-ethyl-5-methyl-1-propyl-azacycloundecane?
2-ethyl-5-methyl-1-propyl-azacycloundecane has a molecular weight of 239.45 g/mol, XLogP of 4.86, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyl-1-propyl-azacycloundecane is sourced from PubChem (CID 123350465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).