spiro[4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-8,1'-cyclohexane]-5-amine

C15H16N4 — CID 58233785

IUPACspiro[4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-8,1'-cyclohexane]-5-amine
SMILESNc1ncc2c(n1)C1(CCCCC1)c1cnccc1-2
InChIInChI=1S/C15H16N4/c16-14-18-8-11-10-4-7-17-9-12(10)15(13(11)19-14)5-2-1-3-6-15/h4,7-9H,1-3,5-6H2,(H2,16,18,19)
InChIKeyBJFZWWUDPGHDTG-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.68
Rot. Bonds

About spiro[4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-8,1'-cyclohexane]-5-amine

spiro[4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-8,1'-cyclohexane]-5-amine (PubChem CID 58233785) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is spiro[4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-8,1'-cyclohexane]-5-amine.

Molecular Properties

Compound Namespiro[4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-8,1'-cyclohexane]-5-amine
PubChem CID58233785
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Namespiro[4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-8,1'-cyclohexane]-5-amine
SMILESNc1ncc2c(n1)C1(CCCCC1)c1cnccc1-2
InChIInChI=1S/C15H16N4/c16-14-18-8-11-10-4-7-17-9-12(10)15(13(11)19-14)5-2-1-3-6-15/h4,7-9H,1-3,5-6H2,(H2,16,18,19)
InChIKeyBJFZWWUDPGHDTG-UHFFFAOYSA-N
XLogP2.68
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of spiro[4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-8,1'-cyclohexane]-5-amine?
The IUPAC name of spiro[4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-8,1'-cyclohexane]-5-amine (CID 58233785) is spiro[4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-8,1'-cyclohexane]-5-amine.
What is the SMILES notation for spiro[4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-8,1'-cyclohexane]-5-amine?
The canonical SMILES for spiro[4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-8,1'-cyclohexane]-5-amine is Nc1ncc2c(n1)C1(CCCCC1)c1cnccc1-2.
What is the InChIKey of spiro[4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-8,1'-cyclohexane]-5-amine?
The InChIKey is BJFZWWUDPGHDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c16-14-18-8-11-10-4-7-17-9-12(10)15(13(11)19-14)5-2-1-3-6-15/h4,7-9H,1-3,5-6H2,(H2,16,18,19).
What are the key properties of spiro[4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-8,1'-cyclohexane]-5-amine?
spiro[4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-8,1'-cyclohexane]-5-amine has a molecular weight of 252.32 g/mol, XLogP of 2.68, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene-8,1'-cyclohexane]-5-amine is sourced from PubChem (CID 58233785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).