5-N,5-N,25-N,25-N,9,21-hexamethyl-12,15,18-trioxa-9,21-diazatricyclo[21.4.0.02,7]heptacosa-1(23),2(7),3,5,24,26-hexaene-5,25-diamine

C28H44N4O3 — CID 101174054

IUPAC5-N,5-N,25-N,25-N,9,21-hexamethyl-12,15,18-trioxa-9,21-diazatricyclo[21.4.0.02,7]heptacosa-1(23),2(7),3,5,24,26-hexaene-5,25-diamine
SMILESCN1CCOCCOCCOCCN(C)Cc2cc(N(C)C)ccc2-c2ccc(N(C)C)cc2C1
InChIInChI=1S/C28H44N4O3/c1-29(2)25-7-9-27-23(19-25)21-31(5)11-13-33-15-17-35-18-16-34-14-12-32(6)22-24-20-26(30(3)4)8-10-28(24)27/h7-10,19-20H,11-18,21-22H2,1-6H3
InChIKeyNPQRNUCTROGARF-UHFFFAOYSA-N
MW484.69 g/mol
LogP3.41
Rot. Bonds2

About 5-N,5-N,25-N,25-N,9,21-hexamethyl-12,15,18-trioxa-9,21-diazatricyclo[21.4.0.02,7]heptacosa-1(23),2(7),3,5,24,26-hexaene-5,25-diamine

5-N,5-N,25-N,25-N,9,21-hexamethyl-12,15,18-trioxa-9,21-diazatricyclo[21.4.0.02,7]heptacosa-1(23),2(7),3,5,24,26-hexaene-5,25-diamine (PubChem CID 101174054) has the molecular formula C28H44N4O3 and a molecular weight of 484.69 g/mol. Its IUPAC name is 5-N,5-N,25-N,25-N,9,21-hexamethyl-12,15,18-trioxa-9,21-diazatricyclo[21.4.0.02,7]heptacosa-1(23),2(7),3,5,24,26-hexaene-5,25-diamine.

Molecular Properties

Compound Name5-N,5-N,25-N,25-N,9,21-hexamethyl-12,15,18-trioxa-9,21-diazatricyclo[21.4.0.02,7]heptacosa-1(23),2(7),3,5,24,26-hexaene-5,25-diamine
PubChem CID101174054
Molecular FormulaC28H44N4O3
Molecular Weight484.69 g/mol
Exact Mass484.34
IUPAC Name5-N,5-N,25-N,25-N,9,21-hexamethyl-12,15,18-trioxa-9,21-diazatricyclo[21.4.0.02,7]heptacosa-1(23),2(7),3,5,24,26-hexaene-5,25-diamine
SMILESCN1CCOCCOCCOCCN(C)Cc2cc(N(C)C)ccc2-c2ccc(N(C)C)cc2C1
InChIInChI=1S/C28H44N4O3/c1-29(2)25-7-9-27-23(19-25)21-31(5)11-13-33-15-17-35-18-16-34-14-12-32(6)22-24-20-26(30(3)4)8-10-28(24)27/h7-10,19-20H,11-18,21-22H2,1-6H3
InChIKeyNPQRNUCTROGARF-UHFFFAOYSA-N
XLogP3.41
TPSA40.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.69
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-N,5-N,25-N,25-N,9,21-hexamethyl-12,15,18-trioxa-9,21-diazatricyclo[21.4.0.02,7]heptacosa-1(23),2(7),3,5,24,26-hexaene-5,25-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-N,5-N,25-N,25-N,9,21-hexamethyl-12,15,18-trioxa-9,21-diazatricyclo[21.4.0.02,7]heptacosa-1(23),2(7),3,5,24,26-hexaene-5,25-diamine?
The IUPAC name of 5-N,5-N,25-N,25-N,9,21-hexamethyl-12,15,18-trioxa-9,21-diazatricyclo[21.4.0.02,7]heptacosa-1(23),2(7),3,5,24,26-hexaene-5,25-diamine (CID 101174054) is 5-N,5-N,25-N,25-N,9,21-hexamethyl-12,15,18-trioxa-9,21-diazatricyclo[21.4.0.02,7]heptacosa-1(23),2(7),3,5,24,26-hexaene-5,25-diamine.
What is the SMILES notation for 5-N,5-N,25-N,25-N,9,21-hexamethyl-12,15,18-trioxa-9,21-diazatricyclo[21.4.0.02,7]heptacosa-1(23),2(7),3,5,24,26-hexaene-5,25-diamine?
The canonical SMILES for 5-N,5-N,25-N,25-N,9,21-hexamethyl-12,15,18-trioxa-9,21-diazatricyclo[21.4.0.02,7]heptacosa-1(23),2(7),3,5,24,26-hexaene-5,25-diamine is CN1CCOCCOCCOCCN(C)Cc2cc(N(C)C)ccc2-c2ccc(N(C)C)cc2C1.
What is the InChIKey of 5-N,5-N,25-N,25-N,9,21-hexamethyl-12,15,18-trioxa-9,21-diazatricyclo[21.4.0.02,7]heptacosa-1(23),2(7),3,5,24,26-hexaene-5,25-diamine?
The InChIKey is NPQRNUCTROGARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H44N4O3/c1-29(2)25-7-9-27-23(19-25)21-31(5)11-13-33-15-17-35-18-16-34-14-12-32(6)22-24-20-26(30(3)4)8-10-28(24)27/h7-10,19-20H,11-18,21-22H2,1-6H3.
What are the key properties of 5-N,5-N,25-N,25-N,9,21-hexamethyl-12,15,18-trioxa-9,21-diazatricyclo[21.4.0.02,7]heptacosa-1(23),2(7),3,5,24,26-hexaene-5,25-diamine?
5-N,5-N,25-N,25-N,9,21-hexamethyl-12,15,18-trioxa-9,21-diazatricyclo[21.4.0.02,7]heptacosa-1(23),2(7),3,5,24,26-hexaene-5,25-diamine has a molecular weight of 484.69 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,5-N,25-N,25-N,9,21-hexamethyl-12,15,18-trioxa-9,21-diazatricyclo[21.4.0.02,7]heptacosa-1(23),2(7),3,5,24,26-hexaene-5,25-diamine is sourced from PubChem (CID 101174054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).