2-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-1-yloxy)-N,N-dimethylethanamine

C19H22N2O — CID 22763199

IUPAC2-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-1-yloxy)-N,N-dimethylethanamine
SMILESCN(C)CCOC12NC(Cc3ccccc31)c1ccccc12
InChIInChI=1S/C19H22N2O/c1-21(2)11-12-22-19-16-9-5-3-7-14(16)13-18(20-19)15-8-4-6-10-17(15)19/h3-10,18,20H,11-13H2,1-2H3
InChIKeyZGCKNKSVBBMOIP-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.67
Rot. Bonds4

About 2-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-1-yloxy)-N,N-dimethylethanamine

2-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-1-yloxy)-N,N-dimethylethanamine (PubChem CID 22763199) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-1-yloxy)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-1-yloxy)-N,N-dimethylethanamine
PubChem CID22763199
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name2-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-1-yloxy)-N,N-dimethylethanamine
SMILESCN(C)CCOC12NC(Cc3ccccc31)c1ccccc12
InChIInChI=1S/C19H22N2O/c1-21(2)11-12-22-19-16-9-5-3-7-14(16)13-18(20-19)15-8-4-6-10-17(15)19/h3-10,18,20H,11-13H2,1-2H3
InChIKeyZGCKNKSVBBMOIP-UHFFFAOYSA-N
XLogP2.67
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-1-yloxy)-N,N-dimethylethanamine?
The IUPAC name of 2-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-1-yloxy)-N,N-dimethylethanamine (CID 22763199) is 2-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-1-yloxy)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-1-yloxy)-N,N-dimethylethanamine?
The canonical SMILES for 2-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-1-yloxy)-N,N-dimethylethanamine is CN(C)CCOC12NC(Cc3ccccc31)c1ccccc12.
What is the InChIKey of 2-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-1-yloxy)-N,N-dimethylethanamine?
The InChIKey is ZGCKNKSVBBMOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-21(2)11-12-22-19-16-9-5-3-7-14(16)13-18(20-19)15-8-4-6-10-17(15)19/h3-10,18,20H,11-13H2,1-2H3.
What are the key properties of 2-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-1-yloxy)-N,N-dimethylethanamine?
2-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-1-yloxy)-N,N-dimethylethanamine has a molecular weight of 294.40 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2,4,6,10,12,14-hexaen-1-yloxy)-N,N-dimethylethanamine is sourced from PubChem (CID 22763199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).