N-(10,15-dioxa-20-azaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaen-20-ylmethyl)methanimine

C26H14N2O2 — CID 154692545

IUPACN-(10,15-dioxa-20-azaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaen-20-ylmethyl)methanimine
SMILESC=NCn1c2cccc3c4cccc5oc6ccc7oc8ccc1c(c8c7c6c54)c32
InChIInChI=1S/C26H14N2O2/c1-27-12-28-15-6-2-4-13-14-5-3-7-17-22(14)24-19(29-17)10-11-20-26(24)25-18(30-20)9-8-16(28)23(25)21(13)15/h2-11H,1,12H2/b14-13-
InChIKeyCTYPBDPOQSUFEN-YPKPFQOOSA-N
MW386.41 g/mol
LogP7.28
Rot. Bonds2

About N-(10,15-dioxa-20-azaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaen-20-ylmethyl)methanimine

N-(10,15-dioxa-20-azaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaen-20-ylmethyl)methanimine (PubChem CID 154692545) has the molecular formula C26H14N2O2 and a molecular weight of 386.41 g/mol. Its IUPAC name is N-(10,15-dioxa-20-azaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaen-20-ylmethyl)methanimine.

Molecular Properties

Compound NameN-(10,15-dioxa-20-azaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaen-20-ylmethyl)methanimine
PubChem CID154692545
Molecular FormulaC26H14N2O2
Molecular Weight386.41 g/mol
Exact Mass386.11
IUPAC NameN-(10,15-dioxa-20-azaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaen-20-ylmethyl)methanimine
SMILESC=NCn1c2cccc3c4cccc5oc6ccc7oc8ccc1c(c8c7c6c54)c32
InChIInChI=1S/C26H14N2O2/c1-27-12-28-15-6-2-4-13-14-5-3-7-17-22(14)24-19(29-17)10-11-20-26(24)25-18(30-20)9-8-16(28)23(25)21(13)15/h2-11H,1,12H2/b14-13-
InChIKeyCTYPBDPOQSUFEN-YPKPFQOOSA-N
XLogP7.28
TPSA43.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.41
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-(10,15-dioxa-20-azaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaen-20-ylmethyl)methanimine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(10,15-dioxa-20-azaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaen-20-ylmethyl)methanimine?
The IUPAC name of N-(10,15-dioxa-20-azaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaen-20-ylmethyl)methanimine (CID 154692545) is N-(10,15-dioxa-20-azaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaen-20-ylmethyl)methanimine.
What is the SMILES notation for N-(10,15-dioxa-20-azaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaen-20-ylmethyl)methanimine?
The canonical SMILES for N-(10,15-dioxa-20-azaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaen-20-ylmethyl)methanimine is C=NCn1c2cccc3c4cccc5oc6ccc7oc8ccc1c(c8c7c6c54)c32.
What is the InChIKey of N-(10,15-dioxa-20-azaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaen-20-ylmethyl)methanimine?
The InChIKey is CTYPBDPOQSUFEN-YPKPFQOOSA-N. The full InChI is InChI=1S/C26H14N2O2/c1-27-12-28-15-6-2-4-13-14-5-3-7-17-22(14)24-19(29-17)10-11-20-26(24)25-18(30-20)9-8-16(28)23(25)21(13)15/h2-11H,1,12H2/b14-13-.
What are the key properties of N-(10,15-dioxa-20-azaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaen-20-ylmethyl)methanimine?
N-(10,15-dioxa-20-azaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaen-20-ylmethyl)methanimine has a molecular weight of 386.41 g/mol, XLogP of 7.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(10,15-dioxa-20-azaoctacyclo[14.11.0.02,14.03,11.04,9.05,25.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaen-20-ylmethyl)methanimine is sourced from PubChem (CID 154692545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).