N-methyl-2-(5-methyl-5-azatricyclo[7.6.0.02,6]pentadeca-1(9),2(6),3,7-tetraen-3-yl)ethanamine

C18H26N2 — CID 123821411

IUPACN-methyl-2-(5-methyl-5-azatricyclo[7.6.0.02,6]pentadeca-1(9),2(6),3,7-tetraen-3-yl)ethanamine
SMILESCNCCc1cn(C)c2ccc3c(c12)CCCCCC3
InChIInChI=1S/C18H26N2/c1-19-12-11-15-13-20(2)17-10-9-14-7-5-3-4-6-8-16(14)18(15)17/h9-10,13,19H,3-8,11-12H2,1-2H3
InChIKeyUKYIGYVIOKJAQB-UHFFFAOYSA-N
MW270.42 g/mol
LogP3.60
Rot. Bonds3

About N-methyl-2-(5-methyl-5-azatricyclo[7.6.0.02,6]pentadeca-1(9),2(6),3,7-tetraen-3-yl)ethanamine

N-methyl-2-(5-methyl-5-azatricyclo[7.6.0.02,6]pentadeca-1(9),2(6),3,7-tetraen-3-yl)ethanamine (PubChem CID 123821411) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is N-methyl-2-(5-methyl-5-azatricyclo[7.6.0.02,6]pentadeca-1(9),2(6),3,7-tetraen-3-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(5-methyl-5-azatricyclo[7.6.0.02,6]pentadeca-1(9),2(6),3,7-tetraen-3-yl)ethanamine
PubChem CID123821411
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC NameN-methyl-2-(5-methyl-5-azatricyclo[7.6.0.02,6]pentadeca-1(9),2(6),3,7-tetraen-3-yl)ethanamine
SMILESCNCCc1cn(C)c2ccc3c(c12)CCCCCC3
InChIInChI=1S/C18H26N2/c1-19-12-11-15-13-20(2)17-10-9-14-7-5-3-4-6-8-16(14)18(15)17/h9-10,13,19H,3-8,11-12H2,1-2H3
InChIKeyUKYIGYVIOKJAQB-UHFFFAOYSA-N
XLogP3.60
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-(1,4,6-trimethylindol-3-yl)ethanamine
CID 82493166
N-methyl-2-(6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridin-4-yl)ethanamine
CID 83832669
2-(1,3-dimethylindol-4-yl)-N-methylethanamine
CID 117204456
4-[3-(2-aminoethyl)-5-azatricyclo[7.6.0.02,6]pentadeca-1(9),2(6),3,7-tetraen-5-yl]-N-methyl-1-(3-propyl-7,8,9,10-tetrahydro-6H-cyclohepta[e]indol-1-yl)butan-2-amine
CID 123332588
2-[1-methyl-3-[2-(methylamino)ethyl]indol-5-yl]ethanesulfonamide
CID 67930893
2-(4,6-dimethoxy-1-methylindol-3-yl)-N-methylethanamine
CID 96675836
2-[4-[(3-chlorophenyl)methoxy]-5-fluoro-1-methylindol-3-yl]-N-methylethanamine
CID 50997397
2-[4-[(4-chlorophenyl)methoxy]-6-fluoro-1-methylindol-3-yl]-N-methylethanamine
CID 50997395
2-(1,3-dimethylindol-6-yl)-N-methylethanamine
CID 117205026
3,4-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 91587374
2-(6,7,8,9-tetrahydro-3H-benzo[e]indol-1-yl)ethylazanium
CID 23267204
2-[1-hydroxy-2-(methylamino)ethyl]-5,6,7,8-tetrahydronaphthalen-1-ol
CID 117316238

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(5-methyl-5-azatricyclo[7.6.0.02,6]pentadeca-1(9),2(6),3,7-tetraen-3-yl)ethanamine?
The IUPAC name of N-methyl-2-(5-methyl-5-azatricyclo[7.6.0.02,6]pentadeca-1(9),2(6),3,7-tetraen-3-yl)ethanamine (CID 123821411) is N-methyl-2-(5-methyl-5-azatricyclo[7.6.0.02,6]pentadeca-1(9),2(6),3,7-tetraen-3-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(5-methyl-5-azatricyclo[7.6.0.02,6]pentadeca-1(9),2(6),3,7-tetraen-3-yl)ethanamine?
The canonical SMILES for N-methyl-2-(5-methyl-5-azatricyclo[7.6.0.02,6]pentadeca-1(9),2(6),3,7-tetraen-3-yl)ethanamine is CNCCc1cn(C)c2ccc3c(c12)CCCCCC3.
What is the InChIKey of N-methyl-2-(5-methyl-5-azatricyclo[7.6.0.02,6]pentadeca-1(9),2(6),3,7-tetraen-3-yl)ethanamine?
The InChIKey is UKYIGYVIOKJAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-19-12-11-15-13-20(2)17-10-9-14-7-5-3-4-6-8-16(14)18(15)17/h9-10,13,19H,3-8,11-12H2,1-2H3.
What are the key properties of N-methyl-2-(5-methyl-5-azatricyclo[7.6.0.02,6]pentadeca-1(9),2(6),3,7-tetraen-3-yl)ethanamine?
N-methyl-2-(5-methyl-5-azatricyclo[7.6.0.02,6]pentadeca-1(9),2(6),3,7-tetraen-3-yl)ethanamine has a molecular weight of 270.42 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(5-methyl-5-azatricyclo[7.6.0.02,6]pentadeca-1(9),2(6),3,7-tetraen-3-yl)ethanamine is sourced from PubChem (CID 123821411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).