5-(2-methylpropyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene

C15H22N2 — CID 118055201

IUPAC5-(2-methylpropyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
SMILESCC(C)Cc1ccc2c3c1CCN3CCNC2
InChIInChI=1S/C15H22N2/c1-11(2)9-12-3-4-13-10-16-6-8-17-7-5-14(12)15(13)17/h3-4,11,16H,5-10H2,1-2H3
InChIKeyWUQFMMIZXCMAAQ-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.35
Rot. Bonds2

About 5-(2-methylpropyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene

5-(2-methylpropyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene (PubChem CID 118055201) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 5-(2-methylpropyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene.

Molecular Properties

Compound Name5-(2-methylpropyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
PubChem CID118055201
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name5-(2-methylpropyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
SMILESCC(C)Cc1ccc2c3c1CCN3CCNC2
InChIInChI=1S/C15H22N2/c1-11(2)9-12-3-4-13-10-16-6-8-17-7-5-14(12)15(13)17/h3-4,11,16H,5-10H2,1-2H3
InChIKeyWUQFMMIZXCMAAQ-UHFFFAOYSA-N
XLogP2.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene?
The IUPAC name of 5-(2-methylpropyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene (CID 118055201) is 5-(2-methylpropyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene.
What is the SMILES notation for 5-(2-methylpropyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene?
The canonical SMILES for 5-(2-methylpropyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene is CC(C)Cc1ccc2c3c1CCN3CCNC2.
What is the InChIKey of 5-(2-methylpropyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene?
The InChIKey is WUQFMMIZXCMAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-11(2)9-12-3-4-13-10-16-6-8-17-7-5-14(12)15(13)17/h3-4,11,16H,5-10H2,1-2H3.
What are the key properties of 5-(2-methylpropyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene?
5-(2-methylpropyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene has a molecular weight of 230.35 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene is sourced from PubChem (CID 118055201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).