9-[2-(dimethylamino)ethylamino]-11-nitroso-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaen-5-ol

C19H19N5O2 — CID 136627535

IUPAC9-[2-(dimethylamino)ethylamino]-11-nitroso-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaen-5-ol
SMILESCN(C)CCNc1nc2cc(O)ccc2c2c1C(N=O)c1cnccc1-2
InChIInChI=1S/C19H19N5O2/c1-24(2)8-7-21-19-17-16(13-4-3-11(25)9-15(13)22-19)12-5-6-20-10-14(12)18(17)23-26/h3-6,9-10,18,25H,7-8H2,1-2H3,(H,21,22)
InChIKeyBNBDNDWKQSGZNZ-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.15
Rot. Bonds5

About 9-[2-(dimethylamino)ethylamino]-11-nitroso-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaen-5-ol

9-[2-(dimethylamino)ethylamino]-11-nitroso-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaen-5-ol (PubChem CID 136627535) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 9-[2-(dimethylamino)ethylamino]-11-nitroso-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaen-5-ol.

Molecular Properties

Compound Name9-[2-(dimethylamino)ethylamino]-11-nitroso-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaen-5-ol
PubChem CID136627535
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name9-[2-(dimethylamino)ethylamino]-11-nitroso-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaen-5-ol
SMILESCN(C)CCNc1nc2cc(O)ccc2c2c1C(N=O)c1cnccc1-2
InChIInChI=1S/C19H19N5O2/c1-24(2)8-7-21-19-17-16(13-4-3-11(25)9-15(13)22-19)12-5-6-20-10-14(12)18(17)23-26/h3-6,9-10,18,25H,7-8H2,1-2H3,(H,21,22)
InChIKeyBNBDNDWKQSGZNZ-UHFFFAOYSA-N
XLogP3.15
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 9-[2-(dimethylamino)ethylamino]-11-nitroso-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaen-5-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[2-(dimethylamino)ethylamino]-11-nitroso-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaen-5-ol?
The IUPAC name of 9-[2-(dimethylamino)ethylamino]-11-nitroso-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaen-5-ol (CID 136627535) is 9-[2-(dimethylamino)ethylamino]-11-nitroso-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaen-5-ol.
What is the SMILES notation for 9-[2-(dimethylamino)ethylamino]-11-nitroso-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaen-5-ol?
The canonical SMILES for 9-[2-(dimethylamino)ethylamino]-11-nitroso-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaen-5-ol is CN(C)CCNc1nc2cc(O)ccc2c2c1C(N=O)c1cnccc1-2.
What is the InChIKey of 9-[2-(dimethylamino)ethylamino]-11-nitroso-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaen-5-ol?
The InChIKey is BNBDNDWKQSGZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-24(2)8-7-21-19-17-16(13-4-3-11(25)9-15(13)22-19)12-5-6-20-10-14(12)18(17)23-26/h3-6,9-10,18,25H,7-8H2,1-2H3,(H,21,22).
What are the key properties of 9-[2-(dimethylamino)ethylamino]-11-nitroso-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaen-5-ol?
9-[2-(dimethylamino)ethylamino]-11-nitroso-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaen-5-ol has a molecular weight of 349.39 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(dimethylamino)ethylamino]-11-nitroso-8,14-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,8,12(17),13,15-octaen-5-ol is sourced from PubChem (CID 136627535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).