9-methyl-13-oxa-2-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaen-4-amine

C17H18N2O — CID 21420496

IUPAC9-methyl-13-oxa-2-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaen-4-amine
SMILESCc1ccc2c(c1)C1CC(N)CN1c1ccccc1O2
InChIInChI=1S/C17H18N2O/c1-11-6-7-16-13(8-11)15-9-12(18)10-19(15)14-4-2-3-5-17(14)20-16/h2-8,12,15H,9-10,18H2,1H3
InChIKeyPMQMGGZCQIIUJD-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.38
Rot. Bonds

About 9-methyl-13-oxa-2-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaen-4-amine

9-methyl-13-oxa-2-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaen-4-amine (PubChem CID 21420496) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 9-methyl-13-oxa-2-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaen-4-amine.

Molecular Properties

Compound Name9-methyl-13-oxa-2-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaen-4-amine
PubChem CID21420496
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name9-methyl-13-oxa-2-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaen-4-amine
SMILESCc1ccc2c(c1)C1CC(N)CN1c1ccccc1O2
InChIInChI=1S/C17H18N2O/c1-11-6-7-16-13(8-11)15-9-12(18)10-19(15)14-4-2-3-5-17(14)20-16/h2-8,12,15H,9-10,18H2,1H3
InChIKeyPMQMGGZCQIIUJD-UHFFFAOYSA-N
XLogP3.38
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-13-oxa-2-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaen-4-amine?
The IUPAC name of 9-methyl-13-oxa-2-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaen-4-amine (CID 21420496) is 9-methyl-13-oxa-2-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaen-4-amine.
What is the SMILES notation for 9-methyl-13-oxa-2-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaen-4-amine?
The canonical SMILES for 9-methyl-13-oxa-2-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaen-4-amine is Cc1ccc2c(c1)C1CC(N)CN1c1ccccc1O2.
What is the InChIKey of 9-methyl-13-oxa-2-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaen-4-amine?
The InChIKey is PMQMGGZCQIIUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-11-6-7-16-13(8-11)15-9-12(18)10-19(15)14-4-2-3-5-17(14)20-16/h2-8,12,15H,9-10,18H2,1H3.
What are the key properties of 9-methyl-13-oxa-2-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaen-4-amine?
9-methyl-13-oxa-2-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaen-4-amine has a molecular weight of 266.34 g/mol, XLogP of 3.38, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-13-oxa-2-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),7(12),8,10,14,16-hexaen-4-amine is sourced from PubChem (CID 21420496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).