1-(7-bicyclo[4.1.0]heptanyl)-2-ethoxy-N-methylethanamine

C12H23NO — CID 105007901

IUPAC1-(7-bicyclo[4.1.0]heptanyl)-2-ethoxy-N-methylethanamine
SMILESCCOCC(NC)C1C2CCCCC21
InChIInChI=1S/C12H23NO/c1-3-14-8-11(13-2)12-9-6-4-5-7-10(9)12/h9-13H,3-8H2,1-2H3
InChIKeyIRMVGDAWXQSLJC-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.05
Rot. Bonds5

About 1-(7-bicyclo[4.1.0]heptanyl)-2-ethoxy-N-methylethanamine

1-(7-bicyclo[4.1.0]heptanyl)-2-ethoxy-N-methylethanamine (PubChem CID 105007901) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-(7-bicyclo[4.1.0]heptanyl)-2-ethoxy-N-methylethanamine.

Molecular Properties

Compound Name1-(7-bicyclo[4.1.0]heptanyl)-2-ethoxy-N-methylethanamine
PubChem CID105007901
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-(7-bicyclo[4.1.0]heptanyl)-2-ethoxy-N-methylethanamine
SMILESCCOCC(NC)C1C2CCCCC21
InChIInChI=1S/C12H23NO/c1-3-14-8-11(13-2)12-9-6-4-5-7-10(9)12/h9-13H,3-8H2,1-2H3
InChIKeyIRMVGDAWXQSLJC-UHFFFAOYSA-N
XLogP2.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(7-bicyclo[4.1.0]heptanyl)-2-ethoxy-N-methylethanamine?
The IUPAC name of 1-(7-bicyclo[4.1.0]heptanyl)-2-ethoxy-N-methylethanamine (CID 105007901) is 1-(7-bicyclo[4.1.0]heptanyl)-2-ethoxy-N-methylethanamine.
What is the SMILES notation for 1-(7-bicyclo[4.1.0]heptanyl)-2-ethoxy-N-methylethanamine?
The canonical SMILES for 1-(7-bicyclo[4.1.0]heptanyl)-2-ethoxy-N-methylethanamine is CCOCC(NC)C1C2CCCCC21.
What is the InChIKey of 1-(7-bicyclo[4.1.0]heptanyl)-2-ethoxy-N-methylethanamine?
The InChIKey is IRMVGDAWXQSLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-14-8-11(13-2)12-9-6-4-5-7-10(9)12/h9-13H,3-8H2,1-2H3.
What are the key properties of 1-(7-bicyclo[4.1.0]heptanyl)-2-ethoxy-N-methylethanamine?
1-(7-bicyclo[4.1.0]heptanyl)-2-ethoxy-N-methylethanamine has a molecular weight of 197.32 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bicyclo[4.1.0]heptanyl)-2-ethoxy-N-methylethanamine is sourced from PubChem (CID 105007901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).