(1S,2R,5R)-2-ethyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane

C10H19N — CID 126658236

IUPAC(1S,2R,5R)-2-ethyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane
SMILESCC[C@@H]1[C@H]2C[C@H]2CN1C(C)C
InChIInChI=1S/C10H19N/c1-4-10-9-5-8(9)6-11(10)7(2)3/h7-10H,4-6H2,1-3H3/t8-,9-,10+/m0/s1
InChIKeyXYXIYPXJWUPGMX-LPEHRKFASA-N
MW153.27 g/mol
LogP2.13
Rot. Bonds2

About (1S,2R,5R)-2-ethyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane

(1S,2R,5R)-2-ethyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane (PubChem CID 126658236) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is (1S,2R,5R)-2-ethyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1S,2R,5R)-2-ethyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane
PubChem CID126658236
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name(1S,2R,5R)-2-ethyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane
SMILESCC[C@@H]1[C@H]2C[C@H]2CN1C(C)C
InChIInChI=1S/C10H19N/c1-4-10-9-5-8(9)6-11(10)7(2)3/h7-10H,4-6H2,1-3H3/t8-,9-,10+/m0/s1
InChIKeyXYXIYPXJWUPGMX-LPEHRKFASA-N
XLogP2.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (1S,2R,5R)-2-ethyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,2R,5R)-2-ethyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane?
The IUPAC name of (1S,2R,5R)-2-ethyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane (CID 126658236) is (1S,2R,5R)-2-ethyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for (1S,2R,5R)-2-ethyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for (1S,2R,5R)-2-ethyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane is CC[C@@H]1[C@H]2C[C@H]2CN1C(C)C.
What is the InChIKey of (1S,2R,5R)-2-ethyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane?
The InChIKey is XYXIYPXJWUPGMX-LPEHRKFASA-N. The full InChI is InChI=1S/C10H19N/c1-4-10-9-5-8(9)6-11(10)7(2)3/h7-10H,4-6H2,1-3H3/t8-,9-,10+/m0/s1.
What are the key properties of (1S,2R,5R)-2-ethyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane?
(1S,2R,5R)-2-ethyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane has a molecular weight of 153.27 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,5R)-2-ethyl-3-propan-2-yl-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 126658236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).