2,6,9,12,15,19-hexaoxabicyclo[18.4.0]tetracosa-1(20),21,23-trien-22-amine

C18H29NO6 — CID 14294022

IUPAC2,6,9,12,15,19-hexaoxabicyclo[18.4.0]tetracosa-1(20),21,23-trien-22-amine
SMILESNc1ccc2c(c1)OCCCOCCOCCOCCOCCCO2
InChIInChI=1S/C18H29NO6/c19-16-3-4-17-18(15-16)25-8-2-6-21-10-12-23-14-13-22-11-9-20-5-1-7-24-17/h3-4,15H,1-2,5-14,19H2
InChIKeyIAZUKTCIDKRIEE-UHFFFAOYSA-N
MW355.43 g/mol
LogP1.89
Rot. Bonds

About 2,6,9,12,15,19-hexaoxabicyclo[18.4.0]tetracosa-1(20),21,23-trien-22-amine

2,6,9,12,15,19-hexaoxabicyclo[18.4.0]tetracosa-1(20),21,23-trien-22-amine (PubChem CID 14294022) has the molecular formula C18H29NO6 and a molecular weight of 355.43 g/mol. Its IUPAC name is 2,6,9,12,15,19-hexaoxabicyclo[18.4.0]tetracosa-1(20),21,23-trien-22-amine.

Molecular Properties

Compound Name2,6,9,12,15,19-hexaoxabicyclo[18.4.0]tetracosa-1(20),21,23-trien-22-amine
PubChem CID14294022
Molecular FormulaC18H29NO6
Molecular Weight355.43 g/mol
Exact Mass355.20
IUPAC Name2,6,9,12,15,19-hexaoxabicyclo[18.4.0]tetracosa-1(20),21,23-trien-22-amine
SMILESNc1ccc2c(c1)OCCCOCCOCCOCCOCCCO2
InChIInChI=1S/C18H29NO6/c19-16-3-4-17-18(15-16)25-8-2-6-21-10-12-23-14-13-22-11-9-20-5-1-7-24-17/h3-4,15H,1-2,5-14,19H2
InChIKeyIAZUKTCIDKRIEE-UHFFFAOYSA-N
XLogP1.89
TPSA81.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-amine
CID 2724802
ethane;2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-amine
CID 142832225
2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9(14),10,12,22,24-hexaen-11-amine
CID 2724828
2,5,8,11,14,18-hexaoxabicyclo[17.4.0]tricosa-1(23),19,21-triene
CID 22411101
2,5,9,12-tetraoxabicyclo[11.4.0]heptadeca-1(17),13,15-triene
CID 13401373
2,5,9,12-tetraoxabicyclo[11.4.0]heptadeca-1(13),14,16-triene-15-carbaldehyde
CID 118131778
1-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-iodobenzene-1,4-diamine
CID 66094966
17-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene
CID 23636185
20-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene
CID 101436486
2,6-dichloro-1-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzene-1,4-diamine
CID 106889855
2,6,10,14-tetraoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl formate
CID 118122632
2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaene-11,24-diol
CID 13273773

Frequently Asked Questions

What is the IUPAC name of 2,6,9,12,15,19-hexaoxabicyclo[18.4.0]tetracosa-1(20),21,23-trien-22-amine?
The IUPAC name of 2,6,9,12,15,19-hexaoxabicyclo[18.4.0]tetracosa-1(20),21,23-trien-22-amine (CID 14294022) is 2,6,9,12,15,19-hexaoxabicyclo[18.4.0]tetracosa-1(20),21,23-trien-22-amine.
What is the SMILES notation for 2,6,9,12,15,19-hexaoxabicyclo[18.4.0]tetracosa-1(20),21,23-trien-22-amine?
The canonical SMILES for 2,6,9,12,15,19-hexaoxabicyclo[18.4.0]tetracosa-1(20),21,23-trien-22-amine is Nc1ccc2c(c1)OCCCOCCOCCOCCOCCCO2.
What is the InChIKey of 2,6,9,12,15,19-hexaoxabicyclo[18.4.0]tetracosa-1(20),21,23-trien-22-amine?
The InChIKey is IAZUKTCIDKRIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO6/c19-16-3-4-17-18(15-16)25-8-2-6-21-10-12-23-14-13-22-11-9-20-5-1-7-24-17/h3-4,15H,1-2,5-14,19H2.
What are the key properties of 2,6,9,12,15,19-hexaoxabicyclo[18.4.0]tetracosa-1(20),21,23-trien-22-amine?
2,6,9,12,15,19-hexaoxabicyclo[18.4.0]tetracosa-1(20),21,23-trien-22-amine has a molecular weight of 355.43 g/mol, XLogP of 1.89, 0 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,9,12,15,19-hexaoxabicyclo[18.4.0]tetracosa-1(20),21,23-trien-22-amine is sourced from PubChem (CID 14294022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).