N-ethyl-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-amine

C15H17N3 — CID 70893950

IUPACN-ethyl-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-amine
SMILESCCNc1ncc2c(n1)-c1ccccc1CCC2
InChIInChI=1S/C15H17N3/c1-2-16-15-17-10-12-8-5-7-11-6-3-4-9-13(11)14(12)18-15/h3-4,6,9-10H,2,5,7-8H2,1H3,(H,16,17,18)
InChIKeyGFPVZNOGUMGGQW-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.06
Rot. Bonds2

About N-ethyl-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-amine

N-ethyl-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-amine (PubChem CID 70893950) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-ethyl-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-amine.

Molecular Properties

Compound NameN-ethyl-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-amine
PubChem CID70893950
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC NameN-ethyl-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-amine
SMILESCCNc1ncc2c(n1)-c1ccccc1CCC2
InChIInChI=1S/C15H17N3/c1-2-16-15-17-10-12-8-5-7-11-6-3-4-9-13(11)14(12)18-15/h3-4,6,9-10H,2,5,7-8H2,1H3,(H,16,17,18)
InChIKeyGFPVZNOGUMGGQW-UHFFFAOYSA-N
XLogP3.06
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-amine?
The IUPAC name of N-ethyl-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-amine (CID 70893950) is N-ethyl-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-amine.
What is the SMILES notation for N-ethyl-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-amine?
The canonical SMILES for N-ethyl-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-amine is CCNc1ncc2c(n1)-c1ccccc1CCC2.
What is the InChIKey of N-ethyl-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-amine?
The InChIKey is GFPVZNOGUMGGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-2-16-15-17-10-12-8-5-7-11-6-3-4-9-13(11)14(12)18-15/h3-4,6,9-10H,2,5,7-8H2,1H3,(H,16,17,18).
What are the key properties of N-ethyl-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-amine?
N-ethyl-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-amine has a molecular weight of 239.32 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-amine is sourced from PubChem (CID 70893950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).