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

C14H18N2 — CID 118055341

IUPAC5-cyclopropyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
SMILESc1cc(C2CC2)c2c3c1CNCCN3CC2
InChIInChI=1S/C14H18N2/c1-2-10(1)12-4-3-11-9-15-6-8-16-7-5-13(12)14(11)16/h3-4,10,15H,1-2,5-9H2
InChIKeySUAHZXUTRBZCQE-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.03
Rot. Bonds1

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

5-cyclopropyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene (PubChem CID 118055341) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 5-cyclopropyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene.

Molecular Properties

Compound Name5-cyclopropyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
PubChem CID118055341
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name5-cyclopropyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene
SMILESc1cc(C2CC2)c2c3c1CNCCN3CC2
InChIInChI=1S/C14H18N2/c1-2-10(1)12-4-3-11-9-15-6-8-16-7-5-13(12)14(11)16/h3-4,10,15H,1-2,5-9H2
InChIKeySUAHZXUTRBZCQE-UHFFFAOYSA-N
XLogP2.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene?
The IUPAC name of 5-cyclopropyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene (CID 118055341) is 5-cyclopropyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene.
What is the SMILES notation for 5-cyclopropyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene?
The canonical SMILES for 5-cyclopropyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene is c1cc(C2CC2)c2c3c1CNCCN3CC2.
What is the InChIKey of 5-cyclopropyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene?
The InChIKey is SUAHZXUTRBZCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-2-10(1)12-4-3-11-9-15-6-8-16-7-5-13(12)14(11)16/h3-4,10,15H,1-2,5-9H2.
What are the key properties of 5-cyclopropyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene?
5-cyclopropyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene has a molecular weight of 214.31 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene is sourced from PubChem (CID 118055341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).