4-cyclopropyl-2-(2-methoxyethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene

C18H26N2O — CID 134279559

IUPAC4-cyclopropyl-2-(2-methoxyethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene
SMILESCOCCC1=CC(C2CC2)C2=C3C(=CCC2)CNCCN13
InChIInChI=1S/C18H26N2O/c1-21-10-7-15-11-17(13-5-6-13)16-4-2-3-14-12-19-8-9-20(15)18(14)16/h3,11,13,17,19H,2,4-10,12H2,1H3
InChIKeyIQNMUOBZRMFXBF-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.83
Rot. Bonds4

About 4-cyclopropyl-2-(2-methoxyethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene

4-cyclopropyl-2-(2-methoxyethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene (PubChem CID 134279559) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 4-cyclopropyl-2-(2-methoxyethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene.

Molecular Properties

Compound Name4-cyclopropyl-2-(2-methoxyethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene
PubChem CID134279559
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name4-cyclopropyl-2-(2-methoxyethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene
SMILESCOCCC1=CC(C2CC2)C2=C3C(=CCC2)CNCCN13
InChIInChI=1S/C18H26N2O/c1-21-10-7-15-11-17(13-5-6-13)16-4-2-3-14-12-19-8-9-20(15)18(14)16/h3,11,13,17,19H,2,4-10,12H2,1H3
InChIKeyIQNMUOBZRMFXBF-UHFFFAOYSA-N
XLogP2.83
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Cyclopropyl-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene-2-carbonitrile
CID 134279572
4-Cyclopropyl-2-(methoxymethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene
CID 134279648

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-(2-methoxyethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene?
The IUPAC name of 4-cyclopropyl-2-(2-methoxyethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene (CID 134279559) is 4-cyclopropyl-2-(2-methoxyethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene.
What is the SMILES notation for 4-cyclopropyl-2-(2-methoxyethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene?
The canonical SMILES for 4-cyclopropyl-2-(2-methoxyethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene is COCCC1=CC(C2CC2)C2=C3C(=CCC2)CNCCN13.
What is the InChIKey of 4-cyclopropyl-2-(2-methoxyethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene?
The InChIKey is IQNMUOBZRMFXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-21-10-7-15-11-17(13-5-6-13)16-4-2-3-14-12-19-8-9-20(15)18(14)16/h3,11,13,17,19H,2,4-10,12H2,1H3.
What are the key properties of 4-cyclopropyl-2-(2-methoxyethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene?
4-cyclopropyl-2-(2-methoxyethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene has a molecular weight of 286.42 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-(2-methoxyethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene is sourced from PubChem (CID 134279559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).