1-(1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17)-hexaen-9-yl)-N-methylmethanamine

C17H19N3 — CID 14156741

IUPAC1-(1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17)-hexaen-9-yl)-N-methylmethanamine
SMILESCNCC1Nc2ccccc2N2CCc3cccc1c32
InChIInChI=1S/C17H19N3/c1-18-11-15-13-6-4-5-12-9-10-20(17(12)13)16-8-3-2-7-14(16)19-15/h2-8,15,18-19H,9-11H2,1H3
InChIKeyJUZRCRSJGRYPMB-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.07
Rot. Bonds2

About 1-(1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17)-hexaen-9-yl)-N-methylmethanamine

1-(1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17)-hexaen-9-yl)-N-methylmethanamine (PubChem CID 14156741) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-(1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17)-hexaen-9-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17)-hexaen-9-yl)-N-methylmethanamine
PubChem CID14156741
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name1-(1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17)-hexaen-9-yl)-N-methylmethanamine
SMILESCNCC1Nc2ccccc2N2CCc3cccc1c32
InChIInChI=1S/C17H19N3/c1-18-11-15-13-6-4-5-12-9-10-20(17(12)13)16-8-3-2-7-14(16)19-15/h2-8,15,18-19H,9-11H2,1H3
InChIKeyJUZRCRSJGRYPMB-UHFFFAOYSA-N
XLogP3.07
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17)-hexaen-9-yl)-N-methylmethanamine?
The IUPAC name of 1-(1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17)-hexaen-9-yl)-N-methylmethanamine (CID 14156741) is 1-(1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17)-hexaen-9-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17)-hexaen-9-yl)-N-methylmethanamine?
The canonical SMILES for 1-(1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17)-hexaen-9-yl)-N-methylmethanamine is CNCC1Nc2ccccc2N2CCc3cccc1c32.
What is the InChIKey of 1-(1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17)-hexaen-9-yl)-N-methylmethanamine?
The InChIKey is JUZRCRSJGRYPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-18-11-15-13-6-4-5-12-9-10-20(17(12)13)16-8-3-2-7-14(16)19-15/h2-8,15,18-19H,9-11H2,1H3.
What are the key properties of 1-(1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17)-hexaen-9-yl)-N-methylmethanamine?
1-(1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17)-hexaen-9-yl)-N-methylmethanamine has a molecular weight of 265.36 g/mol, XLogP of 3.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,8-diazatetracyclo[8.6.1.02,7.014,17]heptadeca-2,4,6,10,12,14(17)-hexaen-9-yl)-N-methylmethanamine is sourced from PubChem (CID 14156741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).