15-(aminomethyl)-5-methoxy-16-methyl-11-azatetracyclo[9.6.0.01,14.02,7]heptadeca-2(7),3,5-trien-12-one

C19H26N2O2 — CID 78161756

IUPAC15-(aminomethyl)-5-methoxy-16-methyl-11-azatetracyclo[9.6.0.01,14.02,7]heptadeca-2(7),3,5-trien-12-one
SMILESCOc1ccc2c(c1)CCCN1C(=O)CC3C(CN)C(C)CC231
InChIInChI=1S/C19H26N2O2/c1-12-10-19-16-6-5-14(23-2)8-13(16)4-3-7-21(19)18(22)9-17(19)15(12)11-20/h5-6,8,12,15,17H,3-4,7,9-11,20H2,1-2H3
InChIKeyMCCYPGNOGAXHKD-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.30
Rot. Bonds2

About 15-(aminomethyl)-5-methoxy-16-methyl-11-azatetracyclo[9.6.0.01,14.02,7]heptadeca-2(7),3,5-trien-12-one

15-(aminomethyl)-5-methoxy-16-methyl-11-azatetracyclo[9.6.0.01,14.02,7]heptadeca-2(7),3,5-trien-12-one (PubChem CID 78161756) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 15-(aminomethyl)-5-methoxy-16-methyl-11-azatetracyclo[9.6.0.01,14.02,7]heptadeca-2(7),3,5-trien-12-one.

Molecular Properties

Compound Name15-(aminomethyl)-5-methoxy-16-methyl-11-azatetracyclo[9.6.0.01,14.02,7]heptadeca-2(7),3,5-trien-12-one
PubChem CID78161756
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name15-(aminomethyl)-5-methoxy-16-methyl-11-azatetracyclo[9.6.0.01,14.02,7]heptadeca-2(7),3,5-trien-12-one
SMILESCOc1ccc2c(c1)CCCN1C(=O)CC3C(CN)C(C)CC231
InChIInChI=1S/C19H26N2O2/c1-12-10-19-16-6-5-14(23-2)8-13(16)4-3-7-21(19)18(22)9-17(19)15(12)11-20/h5-6,8,12,15,17H,3-4,7,9-11,20H2,1-2H3
InChIKeyMCCYPGNOGAXHKD-UHFFFAOYSA-N
XLogP2.30
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 15-(aminomethyl)-5-methoxy-16-methyl-11-azatetracyclo[9.6.0.01,14.02,7]heptadeca-2(7),3,5-trien-12-one?
The IUPAC name of 15-(aminomethyl)-5-methoxy-16-methyl-11-azatetracyclo[9.6.0.01,14.02,7]heptadeca-2(7),3,5-trien-12-one (CID 78161756) is 15-(aminomethyl)-5-methoxy-16-methyl-11-azatetracyclo[9.6.0.01,14.02,7]heptadeca-2(7),3,5-trien-12-one.
What is the SMILES notation for 15-(aminomethyl)-5-methoxy-16-methyl-11-azatetracyclo[9.6.0.01,14.02,7]heptadeca-2(7),3,5-trien-12-one?
The canonical SMILES for 15-(aminomethyl)-5-methoxy-16-methyl-11-azatetracyclo[9.6.0.01,14.02,7]heptadeca-2(7),3,5-trien-12-one is COc1ccc2c(c1)CCCN1C(=O)CC3C(CN)C(C)CC231.
What is the InChIKey of 15-(aminomethyl)-5-methoxy-16-methyl-11-azatetracyclo[9.6.0.01,14.02,7]heptadeca-2(7),3,5-trien-12-one?
The InChIKey is MCCYPGNOGAXHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-12-10-19-16-6-5-14(23-2)8-13(16)4-3-7-21(19)18(22)9-17(19)15(12)11-20/h5-6,8,12,15,17H,3-4,7,9-11,20H2,1-2H3.
What are the key properties of 15-(aminomethyl)-5-methoxy-16-methyl-11-azatetracyclo[9.6.0.01,14.02,7]heptadeca-2(7),3,5-trien-12-one?
15-(aminomethyl)-5-methoxy-16-methyl-11-azatetracyclo[9.6.0.01,14.02,7]heptadeca-2(7),3,5-trien-12-one has a molecular weight of 314.43 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(aminomethyl)-5-methoxy-16-methyl-11-azatetracyclo[9.6.0.01,14.02,7]heptadeca-2(7),3,5-trien-12-one is sourced from PubChem (CID 78161756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).