N-[[1-(2-bicyclo[2.2.1]heptanylmethyl)indol-3-yl]methyl]ethanamine

C19H26N2 — CID 79561235

IUPACN-[[1-(2-bicyclo[2.2.1]heptanylmethyl)indol-3-yl]methyl]ethanamine
SMILESCCNCc1cn(CC2CC3CCC2C3)c2ccccc12
InChIInChI=1S/C19H26N2/c1-2-20-11-17-13-21(19-6-4-3-5-18(17)19)12-16-10-14-7-8-15(16)9-14/h3-6,13-16,20H,2,7-12H2,1H3
InChIKeyYGRMRELHWQVUJM-UHFFFAOYSA-N
MW282.43 g/mol
LogP4.19
Rot. Bonds5

About N-[[1-(2-bicyclo[2.2.1]heptanylmethyl)indol-3-yl]methyl]ethanamine

N-[[1-(2-bicyclo[2.2.1]heptanylmethyl)indol-3-yl]methyl]ethanamine (PubChem CID 79561235) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-[[1-(2-bicyclo[2.2.1]heptanylmethyl)indol-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(2-bicyclo[2.2.1]heptanylmethyl)indol-3-yl]methyl]ethanamine
PubChem CID79561235
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC NameN-[[1-(2-bicyclo[2.2.1]heptanylmethyl)indol-3-yl]methyl]ethanamine
SMILESCCNCc1cn(CC2CC3CCC2C3)c2ccccc12
InChIInChI=1S/C19H26N2/c1-2-20-11-17-13-21(19-6-4-3-5-18(17)19)12-16-10-14-7-8-15(16)9-14/h3-6,13-16,20H,2,7-12H2,1H3
InChIKeyYGRMRELHWQVUJM-UHFFFAOYSA-N
XLogP4.19
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[1-(2-bicyclo[2.2.1]heptanylmethyl)indol-3-yl]methyl]ethanamine with MolForge

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Related Compounds

N-[[1-[(4-methylmorpholin-2-yl)methyl]indol-3-yl]methyl]ethanamine
CID 79171525
1-[1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolo[2,3-b]pyridin-3-yl]-N-methylmethanamine
CID 79561238
2-[3-(ethylaminomethyl)indol-1-yl]ethanol
CID 66409741
2-[3-(ethylaminomethyl)indol-1-yl]-N,N-dimethylethanamine
CID 66409955
2-[3-(ethylaminomethyl)indol-1-yl]acetamide
CID 66409295
1-(2-bicyclo[2.2.1]heptanylmethyl)-4-propoxyindole
CID 83165975
N-[[1-[2-(oxolan-2-yl)ethyl]indol-3-yl]methyl]ethanamine
CID 65165577
N-[[1-(pyrimidin-2-ylmethyl)indol-3-yl]methyl]ethanamine
CID 66409737
3-[3-(ethylaminomethyl)indol-1-yl]-N,N-dimethylpropan-1-amine
CID 71025575
N,N-diethyl-2-[3-(ethylaminomethyl)indol-1-yl]acetamide
CID 66409526
N-[[2-(2-bicyclo[2.2.1]heptanylmethoxy)-3-methoxyphenyl]methyl]ethanamine
CID 79562030
N-[[2-(2-bicyclo[2.2.1]heptanyloxy)phenyl]methyl]ethanamine
CID 114245396

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-bicyclo[2.2.1]heptanylmethyl)indol-3-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(2-bicyclo[2.2.1]heptanylmethyl)indol-3-yl]methyl]ethanamine (CID 79561235) is N-[[1-(2-bicyclo[2.2.1]heptanylmethyl)indol-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(2-bicyclo[2.2.1]heptanylmethyl)indol-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(2-bicyclo[2.2.1]heptanylmethyl)indol-3-yl]methyl]ethanamine is CCNCc1cn(CC2CC3CCC2C3)c2ccccc12.
What is the InChIKey of N-[[1-(2-bicyclo[2.2.1]heptanylmethyl)indol-3-yl]methyl]ethanamine?
The InChIKey is YGRMRELHWQVUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-2-20-11-17-13-21(19-6-4-3-5-18(17)19)12-16-10-14-7-8-15(16)9-14/h3-6,13-16,20H,2,7-12H2,1H3.
What are the key properties of N-[[1-(2-bicyclo[2.2.1]heptanylmethyl)indol-3-yl]methyl]ethanamine?
N-[[1-(2-bicyclo[2.2.1]heptanylmethyl)indol-3-yl]methyl]ethanamine has a molecular weight of 282.43 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-bicyclo[2.2.1]heptanylmethyl)indol-3-yl]methyl]ethanamine is sourced from PubChem (CID 79561235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).