(1R,5S)-8-ethyl-3-methyl-8-azabicyclo[3.2.1]octane

C10H19N — CID 121337296

IUPAC(1R,5S)-8-ethyl-3-methyl-8-azabicyclo[3.2.1]octane
SMILESCCN1[C@@H]2CC[C@H]1CC(C)C2
InChIInChI=1S/C10H19N/c1-3-11-9-4-5-10(11)7-8(2)6-9/h8-10H,3-7H2,1-2H3/t8?,9-,10+
InChIKeyCMIPBAFARRRGRZ-PBINXNQUSA-N
MW153.27 g/mol
LogP2.27
Rot. Bonds1

About (1R,5S)-8-ethyl-3-methyl-8-azabicyclo[3.2.1]octane

(1R,5S)-8-ethyl-3-methyl-8-azabicyclo[3.2.1]octane (PubChem CID 121337296) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is (1R,5S)-8-ethyl-3-methyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1R,5S)-8-ethyl-3-methyl-8-azabicyclo[3.2.1]octane
PubChem CID121337296
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name(1R,5S)-8-ethyl-3-methyl-8-azabicyclo[3.2.1]octane
SMILESCCN1[C@@H]2CC[C@H]1CC(C)C2
InChIInChI=1S/C10H19N/c1-3-11-9-4-5-10(11)7-8(2)6-9/h8-10H,3-7H2,1-2H3/t8?,9-,10+
InChIKeyCMIPBAFARRRGRZ-PBINXNQUSA-N
XLogP2.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-8-ethyl-3-methyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of (1R,5S)-8-ethyl-3-methyl-8-azabicyclo[3.2.1]octane (CID 121337296) is (1R,5S)-8-ethyl-3-methyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for (1R,5S)-8-ethyl-3-methyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for (1R,5S)-8-ethyl-3-methyl-8-azabicyclo[3.2.1]octane is CCN1[C@@H]2CC[C@H]1CC(C)C2.
What is the InChIKey of (1R,5S)-8-ethyl-3-methyl-8-azabicyclo[3.2.1]octane?
The InChIKey is CMIPBAFARRRGRZ-PBINXNQUSA-N. The full InChI is InChI=1S/C10H19N/c1-3-11-9-4-5-10(11)7-8(2)6-9/h8-10H,3-7H2,1-2H3/t8?,9-,10+.
What are the key properties of (1R,5S)-8-ethyl-3-methyl-8-azabicyclo[3.2.1]octane?
(1R,5S)-8-ethyl-3-methyl-8-azabicyclo[3.2.1]octane has a molecular weight of 153.27 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-8-ethyl-3-methyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 121337296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).