N-cyclohexyl-3,5,8,9-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,7,10,12-hexaen-6-amine

C15H17N5 — CID 127033449

IUPACN-cyclohexyl-3,5,8,9-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,7,10,12-hexaen-6-amine
SMILESc1ccn2nc3c(NC4CCCCC4)ncnc3c2c1
InChIInChI=1S/C15H17N5/c1-2-6-11(7-3-1)18-15-14-13(16-10-17-15)12-8-4-5-9-20(12)19-14/h4-5,8-11H,1-3,6-7H2,(H,16,17,18)
InChIKeyILGCWVIQXYCYSQ-UHFFFAOYSA-N
MW267.34 g/mol
LogP3.02
Rot. Bonds2

About N-cyclohexyl-3,5,8,9-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,7,10,12-hexaen-6-amine

N-cyclohexyl-3,5,8,9-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,7,10,12-hexaen-6-amine (PubChem CID 127033449) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is N-cyclohexyl-3,5,8,9-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,7,10,12-hexaen-6-amine.

Molecular Properties

Compound NameN-cyclohexyl-3,5,8,9-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,7,10,12-hexaen-6-amine
PubChem CID127033449
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC NameN-cyclohexyl-3,5,8,9-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,7,10,12-hexaen-6-amine
SMILESc1ccn2nc3c(NC4CCCCC4)ncnc3c2c1
InChIInChI=1S/C15H17N5/c1-2-6-11(7-3-1)18-15-14-13(16-10-17-15)12-8-4-5-9-20(12)19-14/h4-5,8-11H,1-3,6-7H2,(H,16,17,18)
InChIKeyILGCWVIQXYCYSQ-UHFFFAOYSA-N
XLogP3.02
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3,5,8,9-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,7,10,12-hexaen-6-amine?
The IUPAC name of N-cyclohexyl-3,5,8,9-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,7,10,12-hexaen-6-amine (CID 127033449) is N-cyclohexyl-3,5,8,9-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,7,10,12-hexaen-6-amine.
What is the SMILES notation for N-cyclohexyl-3,5,8,9-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,7,10,12-hexaen-6-amine?
The canonical SMILES for N-cyclohexyl-3,5,8,9-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,7,10,12-hexaen-6-amine is c1ccn2nc3c(NC4CCCCC4)ncnc3c2c1.
What is the InChIKey of N-cyclohexyl-3,5,8,9-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,7,10,12-hexaen-6-amine?
The InChIKey is ILGCWVIQXYCYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-2-6-11(7-3-1)18-15-14-13(16-10-17-15)12-8-4-5-9-20(12)19-14/h4-5,8-11H,1-3,6-7H2,(H,16,17,18).
What are the key properties of N-cyclohexyl-3,5,8,9-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,7,10,12-hexaen-6-amine?
N-cyclohexyl-3,5,8,9-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,7,10,12-hexaen-6-amine has a molecular weight of 267.34 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3,5,8,9-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,7,10,12-hexaen-6-amine is sourced from PubChem (CID 127033449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).