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

C17H24N2O — CID 134279648

IUPAC4-cyclopropyl-2-(methoxymethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene
SMILESCOCC1=CC(C2CC2)C2=C3C(=CCC2)CNCCN13
InChIInChI=1S/C17H24N2O/c1-20-11-14-9-16(12-5-6-12)15-4-2-3-13-10-18-7-8-19(14)17(13)15/h3,9,12,16,18H,2,4-8,10-11H2,1H3
InChIKeyLXQCLFCEYSVLSC-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.44
Rot. Bonds3

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

4-cyclopropyl-2-(methoxymethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene (PubChem CID 134279648) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 4-cyclopropyl-2-(methoxymethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene.

Molecular Properties

Compound Name4-cyclopropyl-2-(methoxymethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene
PubChem CID134279648
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name4-cyclopropyl-2-(methoxymethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene
SMILESCOCC1=CC(C2CC2)C2=C3C(=CCC2)CNCCN13
InChIInChI=1S/C17H24N2O/c1-20-11-14-9-16(12-5-6-12)15-4-2-3-13-10-18-7-8-19(14)17(13)15/h3,9,12,16,18H,2,4-8,10-11H2,1H3
InChIKeyLXQCLFCEYSVLSC-UHFFFAOYSA-N
XLogP2.44
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Cyclopropyl-2-(2-methoxyethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene
CID 134279559

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-(methoxymethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene?
The IUPAC name of 4-cyclopropyl-2-(methoxymethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene (CID 134279648) is 4-cyclopropyl-2-(methoxymethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene.
What is the SMILES notation for 4-cyclopropyl-2-(methoxymethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene?
The canonical SMILES for 4-cyclopropyl-2-(methoxymethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene is COCC1=CC(C2CC2)C2=C3C(=CCC2)CNCCN13.
What is the InChIKey of 4-cyclopropyl-2-(methoxymethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene?
The InChIKey is LXQCLFCEYSVLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-20-11-14-9-16(12-5-6-12)15-4-2-3-13-10-18-7-8-19(14)17(13)15/h3,9,12,16,18H,2,4-8,10-11H2,1H3.
What are the key properties of 4-cyclopropyl-2-(methoxymethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene?
4-cyclopropyl-2-(methoxymethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene has a molecular weight of 272.39 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-(methoxymethyl)-1,11-diazatricyclo[7.4.1.05,14]tetradeca-2,5(14),8-triene is sourced from PubChem (CID 134279648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).