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

C17H22N2 — CID 79549808

IUPAC[1-(2-bicyclo[2.2.1]heptanylmethyl)indol-2-yl]methanamine
SMILESNCc1cc2ccccc2n1CC1CC2CCC1C2
InChIInChI=1S/C17H22N2/c18-10-16-9-14-3-1-2-4-17(14)19(16)11-15-8-12-5-6-13(15)7-12/h1-4,9,12-13,15H,5-8,10-11,18H2
InChIKeyRITDBISCLGVXHC-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.54
Rot. Bonds3

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

[1-(2-bicyclo[2.2.1]heptanylmethyl)indol-2-yl]methanamine (PubChem CID 79549808) 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-2-yl]methanamine.

Molecular Properties

Compound Name[1-(2-bicyclo[2.2.1]heptanylmethyl)indol-2-yl]methanamine
PubChem CID79549808
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name[1-(2-bicyclo[2.2.1]heptanylmethyl)indol-2-yl]methanamine
SMILESNCc1cc2ccccc2n1CC1CC2CCC1C2
InChIInChI=1S/C17H22N2/c18-10-16-9-14-3-1-2-4-17(14)19(16)11-15-8-12-5-6-13(15)7-12/h1-4,9,12-13,15H,5-8,10-11,18H2
InChIKeyRITDBISCLGVXHC-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

Iprindole
CID 21722
Rimcazole
CID 53389
Mebhydrolin
CID 22530
3-Amino-9-ethylcarbazole
CID 8588
Avn-101
CID 42631003
N-ethyl carbazole
CID 6836
N-Vinylcarbazole
CID 15143
1-(9-ethyl-9H-carbazol-3-yl)-N-methylmethanamine
CID 4722579
1-Methyl-2-phenylindole
CID 77095
Rimcazole dihydrochloride
CID 53388
N-Methylcarbazole
CID 15142
9H-Carbazole, 9-(1-methylethyl)-
CID 73873

Frequently Asked Questions

What is the IUPAC name of [1-(2-bicyclo[2.2.1]heptanylmethyl)indol-2-yl]methanamine?
The IUPAC name of [1-(2-bicyclo[2.2.1]heptanylmethyl)indol-2-yl]methanamine (CID 79549808) is [1-(2-bicyclo[2.2.1]heptanylmethyl)indol-2-yl]methanamine.
What is the SMILES notation for [1-(2-bicyclo[2.2.1]heptanylmethyl)indol-2-yl]methanamine?
The canonical SMILES for [1-(2-bicyclo[2.2.1]heptanylmethyl)indol-2-yl]methanamine is NCc1cc2ccccc2n1CC1CC2CCC1C2.
What is the InChIKey of [1-(2-bicyclo[2.2.1]heptanylmethyl)indol-2-yl]methanamine?
The InChIKey is RITDBISCLGVXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c18-10-16-9-14-3-1-2-4-17(14)19(16)11-15-8-12-5-6-13(15)7-12/h1-4,9,12-13,15H,5-8,10-11,18H2.
What are the key properties of [1-(2-bicyclo[2.2.1]heptanylmethyl)indol-2-yl]methanamine?
[1-(2-bicyclo[2.2.1]heptanylmethyl)indol-2-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-2-yl]methanamine is sourced from PubChem (CID 79549808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).