3-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1H-indole

C16H20N2 — CID 10037310

IUPAC3-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1H-indole
SMILESCN1[C@@H]2CC[C@H]1CC(c1c[nH]c3ccccc13)C2
InChIInChI=1S/C16H20N2/c1-18-12-6-7-13(18)9-11(8-12)15-10-17-16-5-3-2-4-14(15)16/h2-5,10-13,17H,6-9H2,1H3/t11?,12-,13+
InChIKeyFDNYEYVZTCLMFO-YHWZYXNKSA-N
MW240.35 g/mol
LogP3.51
Rot. Bonds1

About 3-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1H-indole

3-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1H-indole (PubChem CID 10037310) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1H-indole.

Molecular Properties

Compound Name3-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1H-indole
PubChem CID10037310
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name3-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1H-indole
SMILESCN1[C@@H]2CC[C@H]1CC(c1c[nH]c3ccccc13)C2
InChIInChI=1S/C16H20N2/c1-18-12-6-7-13(18)9-11(8-12)15-10-17-16-5-3-2-4-14(15)16/h2-5,10-13,17H,6-9H2,1H3/t11?,12-,13+
InChIKeyFDNYEYVZTCLMFO-YHWZYXNKSA-N
XLogP3.51
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1H-indole with MolForge

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Related Compounds

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CID 144855106
methane;3-piperidin-4-yl-1H-indole
CID 70444570
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CID 91802123

Frequently Asked Questions

What is the IUPAC name of 3-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1H-indole?
The IUPAC name of 3-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1H-indole (CID 10037310) is 3-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1H-indole.
What is the SMILES notation for 3-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1H-indole?
The canonical SMILES for 3-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1H-indole is CN1[C@@H]2CC[C@H]1CC(c1c[nH]c3ccccc13)C2.
What is the InChIKey of 3-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1H-indole?
The InChIKey is FDNYEYVZTCLMFO-YHWZYXNKSA-N. The full InChI is InChI=1S/C16H20N2/c1-18-12-6-7-13(18)9-11(8-12)15-10-17-16-5-3-2-4-14(15)16/h2-5,10-13,17H,6-9H2,1H3/t11?,12-,13+.
What are the key properties of 3-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1H-indole?
3-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1H-indole has a molecular weight of 240.35 g/mol, XLogP of 3.51, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1H-indole is sourced from PubChem (CID 10037310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).