2-(5-methoxy-1,6-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2(7),3,5,8,10,12,14-heptaen-8-yl)ethanamine

C17H17N3O — CID 15896382

IUPAC2-(5-methoxy-1,6-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2(7),3,5,8,10,12,14-heptaen-8-yl)ethanamine
SMILESCOc1ccc2c(n1)c(CCN)c1n2Cc2ccccc2-1
InChIInChI=1S/C17H17N3O/c1-21-15-7-6-14-16(19-15)13(8-9-18)17-12-5-3-2-4-11(12)10-20(14)17/h2-7H,8-10,18H2,1H3
InChIKeyUYPWHVRWHIAWMN-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.57
Rot. Bonds3

About 2-(5-methoxy-1,6-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2(7),3,5,8,10,12,14-heptaen-8-yl)ethanamine

2-(5-methoxy-1,6-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2(7),3,5,8,10,12,14-heptaen-8-yl)ethanamine (PubChem CID 15896382) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(5-methoxy-1,6-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2(7),3,5,8,10,12,14-heptaen-8-yl)ethanamine.

Molecular Properties

Compound Name2-(5-methoxy-1,6-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2(7),3,5,8,10,12,14-heptaen-8-yl)ethanamine
PubChem CID15896382
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name2-(5-methoxy-1,6-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2(7),3,5,8,10,12,14-heptaen-8-yl)ethanamine
SMILESCOc1ccc2c(n1)c(CCN)c1n2Cc2ccccc2-1
InChIInChI=1S/C17H17N3O/c1-21-15-7-6-14-16(19-15)13(8-9-18)17-12-5-3-2-4-11(12)10-20(14)17/h2-7H,8-10,18H2,1H3
InChIKeyUYPWHVRWHIAWMN-UHFFFAOYSA-N
XLogP2.57
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(5-methoxy-1,6-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2(7),3,5,8,10,12,14-heptaen-8-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-1,6-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2(7),3,5,8,10,12,14-heptaen-8-yl)ethanamine?
The IUPAC name of 2-(5-methoxy-1,6-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2(7),3,5,8,10,12,14-heptaen-8-yl)ethanamine (CID 15896382) is 2-(5-methoxy-1,6-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2(7),3,5,8,10,12,14-heptaen-8-yl)ethanamine.
What is the SMILES notation for 2-(5-methoxy-1,6-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2(7),3,5,8,10,12,14-heptaen-8-yl)ethanamine?
The canonical SMILES for 2-(5-methoxy-1,6-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2(7),3,5,8,10,12,14-heptaen-8-yl)ethanamine is COc1ccc2c(n1)c(CCN)c1n2Cc2ccccc2-1.
What is the InChIKey of 2-(5-methoxy-1,6-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2(7),3,5,8,10,12,14-heptaen-8-yl)ethanamine?
The InChIKey is UYPWHVRWHIAWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-21-15-7-6-14-16(19-15)13(8-9-18)17-12-5-3-2-4-11(12)10-20(14)17/h2-7H,8-10,18H2,1H3.
What are the key properties of 2-(5-methoxy-1,6-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2(7),3,5,8,10,12,14-heptaen-8-yl)ethanamine?
2-(5-methoxy-1,6-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2(7),3,5,8,10,12,14-heptaen-8-yl)ethanamine has a molecular weight of 279.34 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-1,6-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-2(7),3,5,8,10,12,14-heptaen-8-yl)ethanamine is sourced from PubChem (CID 15896382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).