(6S)-6-[1-(2-methoxyethyl)imidazol-2-yl]-5-azaspiro[2.3]hexane

C11H17N3O — CID 125454365

IUPAC(6S)-6-[1-(2-methoxyethyl)imidazol-2-yl]-5-azaspiro[2.3]hexane
SMILESCOCCn1ccnc1[C@H]1NCC12CC2
InChIInChI=1S/C11H17N3O/c1-15-7-6-14-5-4-12-10(14)9-11(2-3-11)8-13-9/h4-5,9,13H,2-3,6-8H2,1H3/t9-/m1/s1
InChIKeyRQEUBWUXEYENHR-SECBINFHSA-N
MW207.28 g/mol
LogP0.95
Rot. Bonds4

About (6S)-6-[1-(2-methoxyethyl)imidazol-2-yl]-5-azaspiro[2.3]hexane

(6S)-6-[1-(2-methoxyethyl)imidazol-2-yl]-5-azaspiro[2.3]hexane (PubChem CID 125454365) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is (6S)-6-[1-(2-methoxyethyl)imidazol-2-yl]-5-azaspiro[2.3]hexane.

Molecular Properties

Compound Name(6S)-6-[1-(2-methoxyethyl)imidazol-2-yl]-5-azaspiro[2.3]hexane
PubChem CID125454365
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name(6S)-6-[1-(2-methoxyethyl)imidazol-2-yl]-5-azaspiro[2.3]hexane
SMILESCOCCn1ccnc1[C@H]1NCC12CC2
InChIInChI=1S/C11H17N3O/c1-15-7-6-14-5-4-12-10(14)9-11(2-3-11)8-13-9/h4-5,9,13H,2-3,6-8H2,1H3/t9-/m1/s1
InChIKeyRQEUBWUXEYENHR-SECBINFHSA-N
XLogP0.95
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R)-3,3-diethylazetidin-2-yl]-1-(2-methoxyethyl)imidazole
CID 125451880
1-(2-methoxyethyl)-2-[(2S)-1-methylpyrrolidin-2-yl]imidazole
CID 168941227
4-[1-(2-methoxyethyl)imidazol-2-yl]-8-methyl-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one
CID 50965454
(4R)-4-[1-(2-methoxyethyl)imidazol-2-yl]-8-methyl-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one
CID 95128655
ethane;2-ethyl-1-(2-methoxyethyl)imidazole
CID 164585283
4-[2-[1-(2-methoxyethyl)imidazol-2-yl]-3,3-dimethylazetidin-1-yl]-6-methyl-1H-pyrazolo[5,4-d]pyrimidine
CID 146104908
1-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-3-methylsulfanylpropan-1-one
CID 72919738
[2-[1-(2-methoxyethyl)imidazol-2-yl]-3,3-dimethylazetidin-1-yl]-(1,2-thiazol-5-yl)methanone
CID 138012375
1-(2-methoxyethyl)-4-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 72846613
N-(cyclobutylmethyl)-1-(2-methoxyethyl)imidazol-2-amine
CID 106561470
2-[1-(2-methoxyethyl)imidazol-2-yl]ethanamine
CID 62410004
(2R)-2-(4-fluorophenyl)-2-hydroxy-1-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 97122655

Frequently Asked Questions

What is the IUPAC name of (6S)-6-[1-(2-methoxyethyl)imidazol-2-yl]-5-azaspiro[2.3]hexane?
The IUPAC name of (6S)-6-[1-(2-methoxyethyl)imidazol-2-yl]-5-azaspiro[2.3]hexane (CID 125454365) is (6S)-6-[1-(2-methoxyethyl)imidazol-2-yl]-5-azaspiro[2.3]hexane.
What is the SMILES notation for (6S)-6-[1-(2-methoxyethyl)imidazol-2-yl]-5-azaspiro[2.3]hexane?
The canonical SMILES for (6S)-6-[1-(2-methoxyethyl)imidazol-2-yl]-5-azaspiro[2.3]hexane is COCCn1ccnc1[C@H]1NCC12CC2.
What is the InChIKey of (6S)-6-[1-(2-methoxyethyl)imidazol-2-yl]-5-azaspiro[2.3]hexane?
The InChIKey is RQEUBWUXEYENHR-SECBINFHSA-N. The full InChI is InChI=1S/C11H17N3O/c1-15-7-6-14-5-4-12-10(14)9-11(2-3-11)8-13-9/h4-5,9,13H,2-3,6-8H2,1H3/t9-/m1/s1.
What are the key properties of (6S)-6-[1-(2-methoxyethyl)imidazol-2-yl]-5-azaspiro[2.3]hexane?
(6S)-6-[1-(2-methoxyethyl)imidazol-2-yl]-5-azaspiro[2.3]hexane has a molecular weight of 207.28 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-[1-(2-methoxyethyl)imidazol-2-yl]-5-azaspiro[2.3]hexane is sourced from PubChem (CID 125454365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).