spiro[1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene-3,1'-cyclobutane]

C14H18N2 — CID 118055233

IUPACspiro[1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene-3,1'-cyclobutane]
SMILESc1cc2c3c(c1)C1(CCC1)CN3CCNC2
InChIInChI=1S/C14H18N2/c1-3-11-9-15-7-8-16-10-14(5-2-6-14)12(4-1)13(11)16/h1,3-4,15H,2,5-10H2
InChIKeyFXNYNESBWXXXTC-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.03
Rot. Bonds

About spiro[1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene-3,1'-cyclobutane]

spiro[1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene-3,1'-cyclobutane] (PubChem CID 118055233) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is spiro[1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene-3,1'-cyclobutane].

Molecular Properties

Compound Namespiro[1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene-3,1'-cyclobutane]
PubChem CID118055233
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Namespiro[1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene-3,1'-cyclobutane]
SMILESc1cc2c3c(c1)C1(CCC1)CN3CCNC2
InChIInChI=1S/C14H18N2/c1-3-11-9-15-7-8-16-10-14(5-2-6-14)12(4-1)13(11)16/h1,3-4,15H,2,5-10H2
InChIKeyFXNYNESBWXXXTC-UHFFFAOYSA-N
XLogP2.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
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 spiro[1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene-3,1'-cyclobutane]?
The IUPAC name of spiro[1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene-3,1'-cyclobutane] (CID 118055233) is spiro[1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene-3,1'-cyclobutane].
What is the SMILES notation for spiro[1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene-3,1'-cyclobutane]?
The canonical SMILES for spiro[1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene-3,1'-cyclobutane] is c1cc2c3c(c1)C1(CCC1)CN3CCNC2.
What is the InChIKey of spiro[1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene-3,1'-cyclobutane]?
The InChIKey is FXNYNESBWXXXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-3-11-9-15-7-8-16-10-14(5-2-6-14)12(4-1)13(11)16/h1,3-4,15H,2,5-10H2.
What are the key properties of spiro[1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene-3,1'-cyclobutane]?
spiro[1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene-3,1'-cyclobutane] has a molecular weight of 214.31 g/mol, XLogP of 2.03, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,10-diazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene-3,1'-cyclobutane] is sourced from PubChem (CID 118055233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).