9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-amine

C13H15N3 — CID 83986251

IUPAC9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-amine
SMILESNc1ccc2[nH]c3c(c2c1)C1CCN3CC1
InChIInChI=1S/C13H15N3/c14-9-1-2-11-10(7-9)12-8-3-5-16(6-4-8)13(12)15-11/h1-2,7-8,15H,3-6,14H2
InChIKeyJLMMWFBDFYKEAH-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.45
Rot. Bonds

About 9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-amine

9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-amine (PubChem CID 83986251) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-amine.

Molecular Properties

Compound Name9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-amine
PubChem CID83986251
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-amine
SMILESNc1ccc2[nH]c3c(c2c1)C1CCN3CC1
InChIInChI=1S/C13H15N3/c14-9-1-2-11-10(7-9)12-8-3-5-16(6-4-8)13(12)15-11/h1-2,7-8,15H,3-6,14H2
InChIKeyJLMMWFBDFYKEAH-UHFFFAOYSA-N
XLogP2.45
TPSA45.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-amine?
The IUPAC name of 9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-amine (CID 83986251) is 9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-amine.
What is the SMILES notation for 9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-amine?
The canonical SMILES for 9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-amine is Nc1ccc2[nH]c3c(c2c1)C1CCN3CC1.
What is the InChIKey of 9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-amine?
The InChIKey is JLMMWFBDFYKEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c14-9-1-2-11-10(7-9)12-8-3-5-16(6-4-8)13(12)15-11/h1-2,7-8,15H,3-6,14H2.
What are the key properties of 9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-amine?
9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-amine has a molecular weight of 213.28 g/mol, XLogP of 2.45, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-amine is sourced from PubChem (CID 83986251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).