1-(5-azatricyclo[12.4.0.04,9]octadeca-1(18),4(9),5,7,14,16-hexaen-3-yl)-N-methylmethanamine

C19H24N2 — CID 165410230

IUPAC1-(5-azatricyclo[12.4.0.04,9]octadeca-1(18),4(9),5,7,14,16-hexaen-3-yl)-N-methylmethanamine
SMILESCNCC1Cc2ccccc2CCCCc2cccnc21
InChIInChI=1S/C19H24N2/c1-20-14-18-13-17-10-5-3-8-15(17)7-2-4-9-16-11-6-12-21-19(16)18/h3,5-6,8,10-12,18,20H,2,4,7,9,13-14H2,1H3
InChIKeyINPPSZGWQMIQPI-UHFFFAOYSA-N
MW280.42 g/mol
LogP3.51
Rot. Bonds2

About 1-(5-azatricyclo[12.4.0.04,9]octadeca-1(18),4(9),5,7,14,16-hexaen-3-yl)-N-methylmethanamine

1-(5-azatricyclo[12.4.0.04,9]octadeca-1(18),4(9),5,7,14,16-hexaen-3-yl)-N-methylmethanamine (PubChem CID 165410230) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 1-(5-azatricyclo[12.4.0.04,9]octadeca-1(18),4(9),5,7,14,16-hexaen-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-azatricyclo[12.4.0.04,9]octadeca-1(18),4(9),5,7,14,16-hexaen-3-yl)-N-methylmethanamine
PubChem CID165410230
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC Name1-(5-azatricyclo[12.4.0.04,9]octadeca-1(18),4(9),5,7,14,16-hexaen-3-yl)-N-methylmethanamine
SMILESCNCC1Cc2ccccc2CCCCc2cccnc21
InChIInChI=1S/C19H24N2/c1-20-14-18-13-17-10-5-3-8-15(17)7-2-4-9-16-11-6-12-21-19(16)18/h3,5-6,8,10-12,18,20H,2,4,7,9,13-14H2,1H3
InChIKeyINPPSZGWQMIQPI-UHFFFAOYSA-N
XLogP3.51
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methylmethanamine
CID 79748066
5,6,7,8-tetrahydroquinolin-8-ylmethylhydrazine
CID 105220811
N-methyl-1-spiro[6,8-dihydro-5H-quinoline-7,1'-cyclopropane]-8-ylmethanamine
CID 112715636
(8S)-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 58985331
N-methyl-1-(9-methyl-5,6-dihydro-[1]benzoxepino[3,2-b]pyridin-5-yl)methanamine
CID 165410354
1-[(5S)-8-chloro-5,6-dihydro-[1]benzoxepino[3,2-b]pyridin-5-yl]-N-methylmethanamine
CID 171472475
8-[(E)-but-2-enyl]-5,6,7,8-tetrahydroquinoline
CID 67125733
(8S)-5,6,7,8-tetrahydroquinolin-8-amine
CID 12031071
2-(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl)acetamide
CID 141070718
2-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]acetaldehyde
CID 93476901
N-propyl-3-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-amine
CID 79738591
N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-amine
CID 79748588

Frequently Asked Questions

What is the IUPAC name of 1-(5-azatricyclo[12.4.0.04,9]octadeca-1(18),4(9),5,7,14,16-hexaen-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(5-azatricyclo[12.4.0.04,9]octadeca-1(18),4(9),5,7,14,16-hexaen-3-yl)-N-methylmethanamine (CID 165410230) is 1-(5-azatricyclo[12.4.0.04,9]octadeca-1(18),4(9),5,7,14,16-hexaen-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-azatricyclo[12.4.0.04,9]octadeca-1(18),4(9),5,7,14,16-hexaen-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(5-azatricyclo[12.4.0.04,9]octadeca-1(18),4(9),5,7,14,16-hexaen-3-yl)-N-methylmethanamine is CNCC1Cc2ccccc2CCCCc2cccnc21.
What is the InChIKey of 1-(5-azatricyclo[12.4.0.04,9]octadeca-1(18),4(9),5,7,14,16-hexaen-3-yl)-N-methylmethanamine?
The InChIKey is INPPSZGWQMIQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2/c1-20-14-18-13-17-10-5-3-8-15(17)7-2-4-9-16-11-6-12-21-19(16)18/h3,5-6,8,10-12,18,20H,2,4,7,9,13-14H2,1H3.
What are the key properties of 1-(5-azatricyclo[12.4.0.04,9]octadeca-1(18),4(9),5,7,14,16-hexaen-3-yl)-N-methylmethanamine?
1-(5-azatricyclo[12.4.0.04,9]octadeca-1(18),4(9),5,7,14,16-hexaen-3-yl)-N-methylmethanamine has a molecular weight of 280.42 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-azatricyclo[12.4.0.04,9]octadeca-1(18),4(9),5,7,14,16-hexaen-3-yl)-N-methylmethanamine is sourced from PubChem (CID 165410230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).