(9Z,11Z)-3,5-diazatricyclo[11.4.0.02,7]heptadeca-1(17),2(7),9,11,13,15-hexaen-4-amine

C15H17N3 — CID 141392151

IUPAC(9Z,11Z)-3,5-diazatricyclo[11.4.0.02,7]heptadeca-1(17),2(7),9,11,13,15-hexaen-4-amine
SMILESNC1NCC2=C(N1)c1ccccc1/C=C\C=C/C2
InChIInChI=1S/C15H17N3/c16-15-17-10-12-8-3-1-2-6-11-7-4-5-9-13(11)14(12)18-15/h1-7,9,15,17-18H,8,10,16H2/b3-1-,6-2-
InChIKeyDOVZHLUHHOFWGR-SJDXMKNESA-N
MW239.32 g/mol
LogP1.81
Rot. Bonds

About (9Z,11Z)-3,5-diazatricyclo[11.4.0.02,7]heptadeca-1(17),2(7),9,11,13,15-hexaen-4-amine

(9Z,11Z)-3,5-diazatricyclo[11.4.0.02,7]heptadeca-1(17),2(7),9,11,13,15-hexaen-4-amine (PubChem CID 141392151) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is (9Z,11Z)-3,5-diazatricyclo[11.4.0.02,7]heptadeca-1(17),2(7),9,11,13,15-hexaen-4-amine.

Molecular Properties

Compound Name(9Z,11Z)-3,5-diazatricyclo[11.4.0.02,7]heptadeca-1(17),2(7),9,11,13,15-hexaen-4-amine
PubChem CID141392151
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name(9Z,11Z)-3,5-diazatricyclo[11.4.0.02,7]heptadeca-1(17),2(7),9,11,13,15-hexaen-4-amine
SMILESNC1NCC2=C(N1)c1ccccc1/C=C\C=C/C2
InChIInChI=1S/C15H17N3/c16-15-17-10-12-8-3-1-2-6-11-7-4-5-9-13(11)14(12)18-15/h1-7,9,15,17-18H,8,10,16H2/b3-1-,6-2-
InChIKeyDOVZHLUHHOFWGR-SJDXMKNESA-N
XLogP1.81
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (9Z,11Z)-3,5-diazatricyclo[11.4.0.02,7]heptadeca-1(17),2(7),9,11,13,15-hexaen-4-amine?
The IUPAC name of (9Z,11Z)-3,5-diazatricyclo[11.4.0.02,7]heptadeca-1(17),2(7),9,11,13,15-hexaen-4-amine (CID 141392151) is (9Z,11Z)-3,5-diazatricyclo[11.4.0.02,7]heptadeca-1(17),2(7),9,11,13,15-hexaen-4-amine.
What is the SMILES notation for (9Z,11Z)-3,5-diazatricyclo[11.4.0.02,7]heptadeca-1(17),2(7),9,11,13,15-hexaen-4-amine?
The canonical SMILES for (9Z,11Z)-3,5-diazatricyclo[11.4.0.02,7]heptadeca-1(17),2(7),9,11,13,15-hexaen-4-amine is NC1NCC2=C(N1)c1ccccc1/C=C\C=C/C2.
What is the InChIKey of (9Z,11Z)-3,5-diazatricyclo[11.4.0.02,7]heptadeca-1(17),2(7),9,11,13,15-hexaen-4-amine?
The InChIKey is DOVZHLUHHOFWGR-SJDXMKNESA-N. The full InChI is InChI=1S/C15H17N3/c16-15-17-10-12-8-3-1-2-6-11-7-4-5-9-13(11)14(12)18-15/h1-7,9,15,17-18H,8,10,16H2/b3-1-,6-2-.
What are the key properties of (9Z,11Z)-3,5-diazatricyclo[11.4.0.02,7]heptadeca-1(17),2(7),9,11,13,15-hexaen-4-amine?
(9Z,11Z)-3,5-diazatricyclo[11.4.0.02,7]heptadeca-1(17),2(7),9,11,13,15-hexaen-4-amine has a molecular weight of 239.32 g/mol, XLogP of 1.81, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z,11Z)-3,5-diazatricyclo[11.4.0.02,7]heptadeca-1(17),2(7),9,11,13,15-hexaen-4-amine is sourced from PubChem (CID 141392151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).