1-methyl-2-(2-methylcyclooctyl)azocane

C17H33N — CID 90987666

IUPAC1-methyl-2-(2-methylcyclooctyl)azocane
SMILESCC1CCCCCCC1C1CCCCCCN1C
InChIInChI=1S/C17H33N/c1-15-11-7-3-4-8-12-16(15)17-13-9-5-6-10-14-18(17)2/h15-17H,3-14H2,1-2H3
InChIKeyYDOICOONKLLQPD-UHFFFAOYSA-N
MW251.46 g/mol
LogP4.86
Rot. Bonds1

About 1-methyl-2-(2-methylcyclooctyl)azocane

1-methyl-2-(2-methylcyclooctyl)azocane (PubChem CID 90987666) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is 1-methyl-2-(2-methylcyclooctyl)azocane.

Molecular Properties

Compound Name1-methyl-2-(2-methylcyclooctyl)azocane
PubChem CID90987666
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC Name1-methyl-2-(2-methylcyclooctyl)azocane
SMILESCC1CCCCCCC1C1CCCCCCN1C
InChIInChI=1S/C17H33N/c1-15-11-7-3-4-8-12-16(15)17-13-9-5-6-10-14-18(17)2/h15-17H,3-14H2,1-2H3
InChIKeyYDOICOONKLLQPD-UHFFFAOYSA-N
XLogP4.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.46
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2-methylcyclooctyl)azocane?
The IUPAC name of 1-methyl-2-(2-methylcyclooctyl)azocane (CID 90987666) is 1-methyl-2-(2-methylcyclooctyl)azocane.
What is the SMILES notation for 1-methyl-2-(2-methylcyclooctyl)azocane?
The canonical SMILES for 1-methyl-2-(2-methylcyclooctyl)azocane is CC1CCCCCCC1C1CCCCCCN1C.
What is the InChIKey of 1-methyl-2-(2-methylcyclooctyl)azocane?
The InChIKey is YDOICOONKLLQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N/c1-15-11-7-3-4-8-12-16(15)17-13-9-5-6-10-14-18(17)2/h15-17H,3-14H2,1-2H3.
What are the key properties of 1-methyl-2-(2-methylcyclooctyl)azocane?
1-methyl-2-(2-methylcyclooctyl)azocane has a molecular weight of 251.46 g/mol, XLogP of 4.86, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(2-methylcyclooctyl)azocane is sourced from PubChem (CID 90987666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).