(1R,3R)-4-ethyl-2-azabicyclo[1.1.1]pentane

C6H11N — CID 163792938

IUPAC(1R,3R)-4-ethyl-2-azabicyclo[1.1.1]pentane
SMILESCCC1[C@H]2C[C@H]1N2
InChIInChI=1S/C6H11N/c1-2-4-5-3-6(4)7-5/h4-7H,2-3H2,1H3/t5-,6-/m1/s1
InChIKeyMYJOINSLLXHAGP-PHDIDXHHSA-N
MW97.16 g/mol
LogP0.76
Rot. Bonds1

About (1R,3R)-4-ethyl-2-azabicyclo[1.1.1]pentane

(1R,3R)-4-ethyl-2-azabicyclo[1.1.1]pentane (PubChem CID 163792938) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is (1R,3R)-4-ethyl-2-azabicyclo[1.1.1]pentane.

Molecular Properties

Compound Name(1R,3R)-4-ethyl-2-azabicyclo[1.1.1]pentane
PubChem CID163792938
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC Name(1R,3R)-4-ethyl-2-azabicyclo[1.1.1]pentane
SMILESCCC1[C@H]2C[C@H]1N2
InChIInChI=1S/C6H11N/c1-2-4-5-3-6(4)7-5/h4-7H,2-3H2,1H3/t5-,6-/m1/s1
InChIKeyMYJOINSLLXHAGP-PHDIDXHHSA-N
XLogP0.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.16
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (1R,3R)-4-ethyl-2-azabicyclo[1.1.1]pentane?
The IUPAC name of (1R,3R)-4-ethyl-2-azabicyclo[1.1.1]pentane (CID 163792938) is (1R,3R)-4-ethyl-2-azabicyclo[1.1.1]pentane.
What is the SMILES notation for (1R,3R)-4-ethyl-2-azabicyclo[1.1.1]pentane?
The canonical SMILES for (1R,3R)-4-ethyl-2-azabicyclo[1.1.1]pentane is CCC1[C@H]2C[C@H]1N2.
What is the InChIKey of (1R,3R)-4-ethyl-2-azabicyclo[1.1.1]pentane?
The InChIKey is MYJOINSLLXHAGP-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H11N/c1-2-4-5-3-6(4)7-5/h4-7H,2-3H2,1H3/t5-,6-/m1/s1.
What are the key properties of (1R,3R)-4-ethyl-2-azabicyclo[1.1.1]pentane?
(1R,3R)-4-ethyl-2-azabicyclo[1.1.1]pentane has a molecular weight of 97.16 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R)-4-ethyl-2-azabicyclo[1.1.1]pentane is sourced from PubChem (CID 163792938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).