2,5,8,11,14,20,23,26,29,32-decaoxatricyclo[31.3.1.115,19]octatriaconta-1(37),15(38),16,18,33,35-hexaen-17-ylmethanamine

C29H43NO10 — CID 10793070

IUPAC2,5,8,11,14,20,23,26,29,32-decaoxatricyclo[31.3.1.115,19]octatriaconta-1(37),15(38),16,18,33,35-hexaen-17-ylmethanamine
SMILESNCc1cc2cc(c1)OCCOCCOCCOCCOc1cccc(c1)OCCOCCOCCOCCO2
InChIInChI=1S/C29H43NO10/c30-24-25-20-28-23-29(21-25)40-19-15-36-11-7-32-5-9-34-13-17-38-27-3-1-2-26(22-27)37-16-12-33-8-4-31-6-10-35-14-18-39-28/h1-3,20-23H,4-19,24,30H2
InChIKeyOJWLWWLYKOTKFK-UHFFFAOYSA-N
MW565.66 g/mol
LogP2.47
Rot. Bonds1

About 2,5,8,11,14,20,23,26,29,32-decaoxatricyclo[31.3.1.115,19]octatriaconta-1(37),15(38),16,18,33,35-hexaen-17-ylmethanamine

2,5,8,11,14,20,23,26,29,32-decaoxatricyclo[31.3.1.115,19]octatriaconta-1(37),15(38),16,18,33,35-hexaen-17-ylmethanamine (PubChem CID 10793070) has the molecular formula C29H43NO10 and a molecular weight of 565.66 g/mol. Its IUPAC name is 2,5,8,11,14,20,23,26,29,32-decaoxatricyclo[31.3.1.115,19]octatriaconta-1(37),15(38),16,18,33,35-hexaen-17-ylmethanamine.

Molecular Properties

Compound Name2,5,8,11,14,20,23,26,29,32-decaoxatricyclo[31.3.1.115,19]octatriaconta-1(37),15(38),16,18,33,35-hexaen-17-ylmethanamine
PubChem CID10793070
Molecular FormulaC29H43NO10
Molecular Weight565.66 g/mol
Exact Mass565.29
IUPAC Name2,5,8,11,14,20,23,26,29,32-decaoxatricyclo[31.3.1.115,19]octatriaconta-1(37),15(38),16,18,33,35-hexaen-17-ylmethanamine
SMILESNCc1cc2cc(c1)OCCOCCOCCOCCOc1cccc(c1)OCCOCCOCCOCCO2
InChIInChI=1S/C29H43NO10/c30-24-25-20-28-23-29(21-25)40-19-15-36-11-7-32-5-9-34-13-17-38-27-3-1-2-26(22-27)37-16-12-33-8-4-31-6-10-35-14-18-39-28/h1-3,20-23H,4-19,24,30H2
InChIKeyOJWLWWLYKOTKFK-UHFFFAOYSA-N
XLogP2.47
TPSA118.32 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds1
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.66
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 2,5,8,11,14,20,23,26,29,32-decaoxatricyclo[31.3.1.115,19]octatriaconta-1(37),15(38),16,18,33,35-hexaen-17-ylmethanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,5,8,11,14,20,23,26,29,32-decaoxatricyclo[31.3.1.115,19]octatriaconta-1(37),15(38),16,18,33,35-hexaen-17-ylmethanamine?
The IUPAC name of 2,5,8,11,14,20,23,26,29,32-decaoxatricyclo[31.3.1.115,19]octatriaconta-1(37),15(38),16,18,33,35-hexaen-17-ylmethanamine (CID 10793070) is 2,5,8,11,14,20,23,26,29,32-decaoxatricyclo[31.3.1.115,19]octatriaconta-1(37),15(38),16,18,33,35-hexaen-17-ylmethanamine.
What is the SMILES notation for 2,5,8,11,14,20,23,26,29,32-decaoxatricyclo[31.3.1.115,19]octatriaconta-1(37),15(38),16,18,33,35-hexaen-17-ylmethanamine?
The canonical SMILES for 2,5,8,11,14,20,23,26,29,32-decaoxatricyclo[31.3.1.115,19]octatriaconta-1(37),15(38),16,18,33,35-hexaen-17-ylmethanamine is NCc1cc2cc(c1)OCCOCCOCCOCCOc1cccc(c1)OCCOCCOCCOCCO2.
What is the InChIKey of 2,5,8,11,14,20,23,26,29,32-decaoxatricyclo[31.3.1.115,19]octatriaconta-1(37),15(38),16,18,33,35-hexaen-17-ylmethanamine?
The InChIKey is OJWLWWLYKOTKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H43NO10/c30-24-25-20-28-23-29(21-25)40-19-15-36-11-7-32-5-9-34-13-17-38-27-3-1-2-26(22-27)37-16-12-33-8-4-31-6-10-35-14-18-39-28/h1-3,20-23H,4-19,24,30H2.
What are the key properties of 2,5,8,11,14,20,23,26,29,32-decaoxatricyclo[31.3.1.115,19]octatriaconta-1(37),15(38),16,18,33,35-hexaen-17-ylmethanamine?
2,5,8,11,14,20,23,26,29,32-decaoxatricyclo[31.3.1.115,19]octatriaconta-1(37),15(38),16,18,33,35-hexaen-17-ylmethanamine has a molecular weight of 565.66 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,8,11,14,20,23,26,29,32-decaoxatricyclo[31.3.1.115,19]octatriaconta-1(37),15(38),16,18,33,35-hexaen-17-ylmethanamine is sourced from PubChem (CID 10793070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).