[1-(2-bicyclo[2.2.1]heptanylmethyl)indol-5-yl]methanamine

C17H22N2 — CID 79550159

IUPAC[1-(2-bicyclo[2.2.1]heptanylmethyl)indol-5-yl]methanamine
SMILESNCc1ccc2c(ccn2CC2CC3CCC2C3)c1
InChIInChI=1S/C17H22N2/c18-10-13-2-4-17-15(9-13)5-6-19(17)11-16-8-12-1-3-14(16)7-12/h2,4-6,9,12,14,16H,1,3,7-8,10-11,18H2
InChIKeyIKRZRZDMYASYKO-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.54
Rot. Bonds3

About [1-(2-bicyclo[2.2.1]heptanylmethyl)indol-5-yl]methanamine

[1-(2-bicyclo[2.2.1]heptanylmethyl)indol-5-yl]methanamine (PubChem CID 79550159) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is [1-(2-bicyclo[2.2.1]heptanylmethyl)indol-5-yl]methanamine.

Molecular Properties

Compound Name[1-(2-bicyclo[2.2.1]heptanylmethyl)indol-5-yl]methanamine
PubChem CID79550159
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name[1-(2-bicyclo[2.2.1]heptanylmethyl)indol-5-yl]methanamine
SMILESNCc1ccc2c(ccn2CC2CC3CCC2C3)c1
InChIInChI=1S/C17H22N2/c18-10-13-2-4-17-15(9-13)5-6-19(17)11-16-8-12-1-3-14(16)7-12/h2,4-6,9,12,14,16H,1,3,7-8,10-11,18H2
InChIKeyIKRZRZDMYASYKO-UHFFFAOYSA-N
XLogP3.54
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2-bicyclo[2.2.1]heptanylmethyl)indol-6-yl]methanol
CID 102913233
[1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrol-2-yl]methanamine
CID 79557924
[1-(2-bicyclo[2.2.1]heptanylmethyl)indol-2-yl]methanamine
CID 79549808
2-[1-(cyclopropylmethyl)indol-5-yl]ethanamine
CID 115106812
[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)indol-5-yl]methanamine
CID 102901200
[2-(2-bicyclo[2.2.1]heptanyl)-1-methylbenzimidazol-5-yl]methanamine
CID 65040056
[1-[3-(oxolan-2-yl)propyl]indol-5-yl]methanamine
CID 65164965
1-[1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrol-2-yl]ethanamine
CID 79558298
[1-(cyclobutylmethyl)indol-5-yl]methanol
CID 117118884
[1-[(3-bromo-5-fluorophenyl)methyl]indol-5-yl]methanamine
CID 79709523
1-(2-bicyclo[2.2.1]heptanylmethyl)-5-iodobenzimidazol-2-amine
CID 66082195
2-[1-(cyclopentylmethyl)indol-5-yl]ethanol
CID 115106761

Frequently Asked Questions

What is the IUPAC name of [1-(2-bicyclo[2.2.1]heptanylmethyl)indol-5-yl]methanamine?
The IUPAC name of [1-(2-bicyclo[2.2.1]heptanylmethyl)indol-5-yl]methanamine (CID 79550159) is [1-(2-bicyclo[2.2.1]heptanylmethyl)indol-5-yl]methanamine.
What is the SMILES notation for [1-(2-bicyclo[2.2.1]heptanylmethyl)indol-5-yl]methanamine?
The canonical SMILES for [1-(2-bicyclo[2.2.1]heptanylmethyl)indol-5-yl]methanamine is NCc1ccc2c(ccn2CC2CC3CCC2C3)c1.
What is the InChIKey of [1-(2-bicyclo[2.2.1]heptanylmethyl)indol-5-yl]methanamine?
The InChIKey is IKRZRZDMYASYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c18-10-13-2-4-17-15(9-13)5-6-19(17)11-16-8-12-1-3-14(16)7-12/h2,4-6,9,12,14,16H,1,3,7-8,10-11,18H2.
What are the key properties of [1-(2-bicyclo[2.2.1]heptanylmethyl)indol-5-yl]methanamine?
[1-(2-bicyclo[2.2.1]heptanylmethyl)indol-5-yl]methanamine has a molecular weight of 254.38 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bicyclo[2.2.1]heptanylmethyl)indol-5-yl]methanamine is sourced from PubChem (CID 79550159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).