(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

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Related Compounds

(1R,5S)-2-ethyl-3-iodo-3-azabicyclo[3.1.0]hexane
CID 166840052
(2R)-2-ethyl-1-propan-2-ylaziridine
CID 59459524
6-propan-2-yl-6-azatricyclo[3.2.1.02,4]octane
CID 171591162
ethane;5-ethyl-2-propan-2-yl-2-azabicyclo[2.2.1]heptane
CID 177191821
(2R,4R)-2-ethyl-4-methyl-1-propan-2-ylpyrrolidin-3-amine
CID 174029945
5-(1-cyclopropylethyl)-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66210236
N-[(1S,4S,5S,8S)-6-propan-2-yl-6-azatricyclo[3.2.1.03,8]octan-4-yl]propanamide
CID 167257816
(2R,4S)-2-ethyl-1-propan-2-yl-4-propylpyrrolidine
CID 169194158
2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propanoic acid
CID 66210280
5-methyl-2-propan-2-yl-2-azabicyclo[2.2.1]heptane
CID 130224407
3-ethyl-2-methyl-2-azabicyclo[2.1.0]pentane
CID 123611758
(2S,5S)-2-ethyl-5-methyl-1-propan-2-ylpiperazine
CID 96769528

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).