2-[(2,8-dimethylcyclooctyl)-methylamino]ethanol

C13H27NO — CID 71071266

IUPAC2-[(2,8-dimethylcyclooctyl)-methylamino]ethanol
SMILESCC1CCCCCC(C)C1N(C)CCO
InChIInChI=1S/C13H27NO/c1-11-7-5-4-6-8-12(2)13(11)14(3)9-10-15/h11-13,15H,4-10H2,1-3H3
InChIKeyOIIXEPXXWPXZLR-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.52
Rot. Bonds3

About 2-[(2,8-dimethylcyclooctyl)-methylamino]ethanol

2-[(2,8-dimethylcyclooctyl)-methylamino]ethanol (PubChem CID 71071266) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 2-[(2,8-dimethylcyclooctyl)-methylamino]ethanol.

Molecular Properties

Compound Name2-[(2,8-dimethylcyclooctyl)-methylamino]ethanol
PubChem CID71071266
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name2-[(2,8-dimethylcyclooctyl)-methylamino]ethanol
SMILESCC1CCCCCC(C)C1N(C)CCO
InChIInChI=1S/C13H27NO/c1-11-7-5-4-6-8-12(2)13(11)14(3)9-10-15/h11-13,15H,4-10H2,1-3H3
InChIKeyOIIXEPXXWPXZLR-UHFFFAOYSA-N
XLogP2.52
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,8-dimethylcyclooctyl)-methylamino]ethanol?
The IUPAC name of 2-[(2,8-dimethylcyclooctyl)-methylamino]ethanol (CID 71071266) is 2-[(2,8-dimethylcyclooctyl)-methylamino]ethanol.
What is the SMILES notation for 2-[(2,8-dimethylcyclooctyl)-methylamino]ethanol?
The canonical SMILES for 2-[(2,8-dimethylcyclooctyl)-methylamino]ethanol is CC1CCCCCC(C)C1N(C)CCO.
What is the InChIKey of 2-[(2,8-dimethylcyclooctyl)-methylamino]ethanol?
The InChIKey is OIIXEPXXWPXZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-11-7-5-4-6-8-12(2)13(11)14(3)9-10-15/h11-13,15H,4-10H2,1-3H3.
What are the key properties of 2-[(2,8-dimethylcyclooctyl)-methylamino]ethanol?
2-[(2,8-dimethylcyclooctyl)-methylamino]ethanol has a molecular weight of 213.36 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,8-dimethylcyclooctyl)-methylamino]ethanol is sourced from PubChem (CID 71071266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).