N-methyl-2-(8-oxabicyclo[5.1.0]octan-4-yl)ethanamine

C10H19NO — CID 155475971

IUPACN-methyl-2-(8-oxabicyclo[5.1.0]octan-4-yl)ethanamine
SMILESCNCCC1CCC2OC2CC1
InChIInChI=1S/C10H19NO/c1-11-7-6-8-2-4-9-10(12-9)5-3-8/h8-11H,2-7H2,1H3
InChIKeyQHMXFULOMCRNPC-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.55
Rot. Bonds3

About N-methyl-2-(8-oxabicyclo[5.1.0]octan-4-yl)ethanamine

N-methyl-2-(8-oxabicyclo[5.1.0]octan-4-yl)ethanamine (PubChem CID 155475971) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is N-methyl-2-(8-oxabicyclo[5.1.0]octan-4-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(8-oxabicyclo[5.1.0]octan-4-yl)ethanamine
PubChem CID155475971
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC NameN-methyl-2-(8-oxabicyclo[5.1.0]octan-4-yl)ethanamine
SMILESCNCCC1CCC2OC2CC1
InChIInChI=1S/C10H19NO/c1-11-7-6-8-2-4-9-10(12-9)5-3-8/h8-11H,2-7H2,1H3
InChIKeyQHMXFULOMCRNPC-UHFFFAOYSA-N
XLogP1.55
TPSA24.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(8-oxabicyclo[5.1.0]octan-4-yl)ethanamine?
The IUPAC name of N-methyl-2-(8-oxabicyclo[5.1.0]octan-4-yl)ethanamine (CID 155475971) is N-methyl-2-(8-oxabicyclo[5.1.0]octan-4-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(8-oxabicyclo[5.1.0]octan-4-yl)ethanamine?
The canonical SMILES for N-methyl-2-(8-oxabicyclo[5.1.0]octan-4-yl)ethanamine is CNCCC1CCC2OC2CC1.
What is the InChIKey of N-methyl-2-(8-oxabicyclo[5.1.0]octan-4-yl)ethanamine?
The InChIKey is QHMXFULOMCRNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-11-7-6-8-2-4-9-10(12-9)5-3-8/h8-11H,2-7H2,1H3.
What are the key properties of N-methyl-2-(8-oxabicyclo[5.1.0]octan-4-yl)ethanamine?
N-methyl-2-(8-oxabicyclo[5.1.0]octan-4-yl)ethanamine has a molecular weight of 169.27 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(8-oxabicyclo[5.1.0]octan-4-yl)ethanamine is sourced from PubChem (CID 155475971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).