N-[2-(1H-indol-2-yl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine

C18H25N3 — CID 70048466

IUPACN-[2-(1H-indol-2-yl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN1C2CCC1CC(NCCc1cc3ccccc3[nH]1)C2
InChIInChI=1S/C18H25N3/c1-21-16-6-7-17(21)12-15(11-16)19-9-8-14-10-13-4-2-3-5-18(13)20-14/h2-5,10,15-17,19-20H,6-9,11-12H2,1H3
InChIKeyGAFBMOOJXPBTJZ-UHFFFAOYSA-N
MW283.42 g/mol
LogP2.93
Rot. Bonds4

About N-[2-(1H-indol-2-yl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine

N-[2-(1H-indol-2-yl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 70048466) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[2-(1H-indol-2-yl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-[2-(1H-indol-2-yl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID70048466
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN-[2-(1H-indol-2-yl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN1C2CCC1CC(NCCc1cc3ccccc3[nH]1)C2
InChIInChI=1S/C18H25N3/c1-21-16-6-7-17(21)12-15(11-16)19-9-8-14-10-13-4-2-3-5-18(13)20-14/h2-5,10,15-17,19-20H,6-9,11-12H2,1H3
InChIKeyGAFBMOOJXPBTJZ-UHFFFAOYSA-N
XLogP2.93
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-2-yl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-[2-(1H-indol-2-yl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine (CID 70048466) is N-[2-(1H-indol-2-yl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-[2-(1H-indol-2-yl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-[2-(1H-indol-2-yl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine is CN1C2CCC1CC(NCCc1cc3ccccc3[nH]1)C2.
What is the InChIKey of N-[2-(1H-indol-2-yl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is GAFBMOOJXPBTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-21-16-6-7-17(21)12-15(11-16)19-9-8-14-10-13-4-2-3-5-18(13)20-14/h2-5,10,15-17,19-20H,6-9,11-12H2,1H3.
What are the key properties of N-[2-(1H-indol-2-yl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine?
N-[2-(1H-indol-2-yl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 283.42 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-2-yl)ethyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 70048466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).