N-[(9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-ylidene)amino]-N-methylmethanamine

About N-[(9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-ylidene)amino]-N-methylmethanamine

N-[(9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-ylidene)amino]-N-methylmethanamine (PubChem CID 69463411) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[(9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-ylidene)amino]-N-methylmethanamine.

Molecular Properties

Compound Name	N-[(9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-ylidene)amino]-N-methylmethanamine
PubChem CID	69463411
Molecular Formula	C19H25N3O2
Molecular Weight	327.43 g/mol
Exact Mass	327.19
IUPAC Name	N-[(9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-ylidene)amino]-N-methylmethanamine
SMILES	COc1ccc2c3c1OC1CC(=NN(C)C)C=CC31CCN(C)C2
InChI	InChI=1S/C19H25N3O2/c1-21(2)20-14-7-8-19-9-10-22(3)12-13-5-6-15(23-4)18(17(13)19)24-16(19)11-14/h5-8,16H,9-12H2,1-4H3
InChIKey	GLYHWDDWPGFTLE-UHFFFAOYSA-N
XLogP	2.41
TPSA	37.30 Å²
H-Bond Donors
H-Bond Acceptors	5
Rotatable Bonds	2
Heavy Atoms	24
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	327.43
LogP ≤ 5	2.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[(9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-ylidene)amino]-N-methylmethanamine?

The IUPAC name of N-[(9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-ylidene)amino]-N-methylmethanamine (CID 69463411) is N-[(9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-ylidene)amino]-N-methylmethanamine.

What is the SMILES notation for N-[(9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-ylidene)amino]-N-methylmethanamine?

The canonical SMILES for N-[(9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-ylidene)amino]-N-methylmethanamine is COc1ccc2c3c1OC1CC(=NN(C)C)C=CC31CCN(C)C2.

What is the InChIKey of N-[(9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-ylidene)amino]-N-methylmethanamine?

The InChIKey is GLYHWDDWPGFTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-21(2)20-14-7-8-19-9-10-22(3)12-13-5-6-15(23-4)18(17(13)19)24-16(19)11-14/h5-8,16H,9-12H2,1-4H3.

What are the key properties of N-[(9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-ylidene)amino]-N-methylmethanamine?

N-[(9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-ylidene)amino]-N-methylmethanamine has a molecular weight of 327.43 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-ylidene)amino]-N-methylmethanamine is sourced from PubChem (CID 69463411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).