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

C17H22N4O — CID 25074121

IUPAC6-[2-(dimethylamino)ethoxy]-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-4-amine
SMILESCN(C)CCOc1nc(N)nc2c1CCCc1ccccc1-2
InChIInChI=1S/C17H22N4O/c1-21(2)10-11-22-16-14-9-5-7-12-6-3-4-8-13(12)15(14)19-17(18)20-16/h3-4,6,8H,5,7,9-11H2,1-2H3,(H2,18,19,20)
InChIKeyGOQJPJHKNXPAKG-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.15
Rot. Bonds4

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

6-[2-(dimethylamino)ethoxy]-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-4-amine (PubChem CID 25074121) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 6-[2-(dimethylamino)ethoxy]-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-4-amine.

Molecular Properties

Compound Name6-[2-(dimethylamino)ethoxy]-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-4-amine
PubChem CID25074121
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name6-[2-(dimethylamino)ethoxy]-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-4-amine
SMILESCN(C)CCOc1nc(N)nc2c1CCCc1ccccc1-2
InChIInChI=1S/C17H22N4O/c1-21(2)10-11-22-16-14-9-5-7-12-6-3-4-8-13(12)15(14)19-17(18)20-16/h3-4,6,8H,5,7,9-11H2,1-2H3,(H2,18,19,20)
InChIKeyGOQJPJHKNXPAKG-UHFFFAOYSA-N
XLogP2.15
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(dimethylamino)ethoxy]-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-4-amine?
The IUPAC name of 6-[2-(dimethylamino)ethoxy]-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-4-amine (CID 25074121) is 6-[2-(dimethylamino)ethoxy]-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-4-amine.
What is the SMILES notation for 6-[2-(dimethylamino)ethoxy]-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-4-amine?
The canonical SMILES for 6-[2-(dimethylamino)ethoxy]-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-4-amine is CN(C)CCOc1nc(N)nc2c1CCCc1ccccc1-2.
What is the InChIKey of 6-[2-(dimethylamino)ethoxy]-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-4-amine?
The InChIKey is GOQJPJHKNXPAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-21(2)10-11-22-16-14-9-5-7-12-6-3-4-8-13(12)15(14)19-17(18)20-16/h3-4,6,8H,5,7,9-11H2,1-2H3,(H2,18,19,20).
What are the key properties of 6-[2-(dimethylamino)ethoxy]-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-4-amine?
6-[2-(dimethylamino)ethoxy]-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-4-amine has a molecular weight of 298.39 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(dimethylamino)ethoxy]-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-4-amine is sourced from PubChem (CID 25074121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).