N-methoxy-N-methyl-5,8,11-trioxa-2,14,16,18,19-pentazabicyclo[13.3.1]nonadeca-1(19),15,17-trien-17-amine

C13H24N6O4 — CID 57378132

IUPACN-methoxy-N-methyl-5,8,11-trioxa-2,14,16,18,19-pentazabicyclo[13.3.1]nonadeca-1(19),15,17-trien-17-amine
SMILESCON(C)c1nc2nc(n1)NCCOCCOCCOCCN2
InChIInChI=1S/C13H24N6O4/c1-19(20-2)13-17-11-14-3-5-21-7-9-23-10-8-22-6-4-15-12(16-11)18-13/h3-10H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyOKXVUNQSYSZVQF-UHFFFAOYSA-N
MW328.37 g/mol
LogP-0.24
Rot. Bonds2

About N-methoxy-N-methyl-5,8,11-trioxa-2,14,16,18,19-pentazabicyclo[13.3.1]nonadeca-1(19),15,17-trien-17-amine

N-methoxy-N-methyl-5,8,11-trioxa-2,14,16,18,19-pentazabicyclo[13.3.1]nonadeca-1(19),15,17-trien-17-amine (PubChem CID 57378132) has the molecular formula C13H24N6O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-methoxy-N-methyl-5,8,11-trioxa-2,14,16,18,19-pentazabicyclo[13.3.1]nonadeca-1(19),15,17-trien-17-amine.

Molecular Properties

Compound NameN-methoxy-N-methyl-5,8,11-trioxa-2,14,16,18,19-pentazabicyclo[13.3.1]nonadeca-1(19),15,17-trien-17-amine
PubChem CID57378132
Molecular FormulaC13H24N6O4
Molecular Weight328.37 g/mol
Exact Mass328.19
IUPAC NameN-methoxy-N-methyl-5,8,11-trioxa-2,14,16,18,19-pentazabicyclo[13.3.1]nonadeca-1(19),15,17-trien-17-amine
SMILESCON(C)c1nc2nc(n1)NCCOCCOCCOCCN2
InChIInChI=1S/C13H24N6O4/c1-19(20-2)13-17-11-14-3-5-21-7-9-23-10-8-22-6-4-15-12(16-11)18-13/h3-10H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyOKXVUNQSYSZVQF-UHFFFAOYSA-N
XLogP-0.24
TPSA102.89 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-5,8,11-trioxa-2,14,16,18,19-pentazabicyclo[13.3.1]nonadeca-1(19),15,17-trien-17-amine?
The IUPAC name of N-methoxy-N-methyl-5,8,11-trioxa-2,14,16,18,19-pentazabicyclo[13.3.1]nonadeca-1(19),15,17-trien-17-amine (CID 57378132) is N-methoxy-N-methyl-5,8,11-trioxa-2,14,16,18,19-pentazabicyclo[13.3.1]nonadeca-1(19),15,17-trien-17-amine.
What is the SMILES notation for N-methoxy-N-methyl-5,8,11-trioxa-2,14,16,18,19-pentazabicyclo[13.3.1]nonadeca-1(19),15,17-trien-17-amine?
The canonical SMILES for N-methoxy-N-methyl-5,8,11-trioxa-2,14,16,18,19-pentazabicyclo[13.3.1]nonadeca-1(19),15,17-trien-17-amine is CON(C)c1nc2nc(n1)NCCOCCOCCOCCN2.
What is the InChIKey of N-methoxy-N-methyl-5,8,11-trioxa-2,14,16,18,19-pentazabicyclo[13.3.1]nonadeca-1(19),15,17-trien-17-amine?
The InChIKey is OKXVUNQSYSZVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6O4/c1-19(20-2)13-17-11-14-3-5-21-7-9-23-10-8-22-6-4-15-12(16-11)18-13/h3-10H2,1-2H3,(H2,14,15,16,17,18).
What are the key properties of N-methoxy-N-methyl-5,8,11-trioxa-2,14,16,18,19-pentazabicyclo[13.3.1]nonadeca-1(19),15,17-trien-17-amine?
N-methoxy-N-methyl-5,8,11-trioxa-2,14,16,18,19-pentazabicyclo[13.3.1]nonadeca-1(19),15,17-trien-17-amine has a molecular weight of 328.37 g/mol, XLogP of -0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-5,8,11-trioxa-2,14,16,18,19-pentazabicyclo[13.3.1]nonadeca-1(19),15,17-trien-17-amine is sourced from PubChem (CID 57378132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).