ethanol;N-methylcyclooctanamine

C11H25NO — CID 67980226

IUPACethanol;N-methylcyclooctanamine
SMILESCCO.CNC1CCCCCCC1
InChIInChI=1S/C9H19N.C2H6O/c1-10-9-7-5-3-2-4-6-8-9;1-2-3/h9-10H,2-8H2,1H3;3H,2H2,1H3
InChIKeyMYXIBXCGAFPAEQ-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.32
Rot. Bonds1

About ethanol;N-methylcyclooctanamine

ethanol;N-methylcyclooctanamine (PubChem CID 67980226) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is ethanol;N-methylcyclooctanamine.

Molecular Properties

Compound Nameethanol;N-methylcyclooctanamine
PubChem CID67980226
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Nameethanol;N-methylcyclooctanamine
SMILESCCO.CNC1CCCCCCC1
InChIInChI=1S/C9H19N.C2H6O/c1-10-9-7-5-3-2-4-6-8-9;1-2-3/h9-10H,2-8H2,1H3;3H,2H2,1H3
InChIKeyMYXIBXCGAFPAEQ-UHFFFAOYSA-N
XLogP2.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethanol;N-methylcyclooctanamine?
The IUPAC name of ethanol;N-methylcyclooctanamine (CID 67980226) is ethanol;N-methylcyclooctanamine.
What is the SMILES notation for ethanol;N-methylcyclooctanamine?
The canonical SMILES for ethanol;N-methylcyclooctanamine is CCO.CNC1CCCCCCC1.
What is the InChIKey of ethanol;N-methylcyclooctanamine?
The InChIKey is MYXIBXCGAFPAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.C2H6O/c1-10-9-7-5-3-2-4-6-8-9;1-2-3/h9-10H,2-8H2,1H3;3H,2H2,1H3.
What are the key properties of ethanol;N-methylcyclooctanamine?
ethanol;N-methylcyclooctanamine has a molecular weight of 187.33 g/mol, XLogP of 2.32, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;N-methylcyclooctanamine is sourced from PubChem (CID 67980226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).