2-(1-ethylimidazol-2-yl)-1-(methylamino)propan-2-ol

C9H17N3O — CID 66038409

IUPAC2-(1-ethylimidazol-2-yl)-1-(methylamino)propan-2-ol
SMILESCCn1ccnc1C(C)(O)CNC
InChIInChI=1S/C9H17N3O/c1-4-12-6-5-11-8(12)9(2,13)7-10-3/h5-6,10,13H,4,7H2,1-3H3
InChIKeyZHPCVUCLGLMHJD-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.33
Rot. Bonds4

About 2-(1-ethylimidazol-2-yl)-1-(methylamino)propan-2-ol

2-(1-ethylimidazol-2-yl)-1-(methylamino)propan-2-ol (PubChem CID 66038409) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-(1-ethylimidazol-2-yl)-1-(methylamino)propan-2-ol.

Molecular Properties

Compound Name2-(1-ethylimidazol-2-yl)-1-(methylamino)propan-2-ol
PubChem CID66038409
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name2-(1-ethylimidazol-2-yl)-1-(methylamino)propan-2-ol
SMILESCCn1ccnc1C(C)(O)CNC
InChIInChI=1S/C9H17N3O/c1-4-12-6-5-11-8(12)9(2,13)7-10-3/h5-6,10,13H,4,7H2,1-3H3
InChIKeyZHPCVUCLGLMHJD-UHFFFAOYSA-N
XLogP0.33
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(1-ethylimidazol-2-yl)-1-hydroxyethyl]phenol
CID 83075627
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CID 63975624
N-tert-butyl-3-(1-ethylimidazol-2-yl)-3-methylbutan-1-amine
CID 81034890
2-(1-ethylimidazol-2-yl)-2-methylbutanenitrile
CID 130544225
3-[(1-ethylimidazol-2-yl)amino]-2,2-dimethylpropan-1-ol
CID 115360823
3-[(1-ethylimidazol-2-yl)amino]-N,2,2-trimethylpropanamide
CID 106278377
3-[(1-ethylimidazol-2-yl)amino]-2-methylbutan-2-ol
CID 127013523
(1-ethylimidazol-2-yl)-(4-methylphenyl)-phenylmethanol
CID 2881215
1-(1-ethylimidazol-2-yl)sulfanyl-2-methylpropan-2-ol
CID 54471729
1-(1-ethylimidazol-2-yl)-2-hydroxy-2-methylbutan-1-one
CID 103446629
1-(1-ethylimidazol-2-yl)-2,2-dimethylbutan-1-ol
CID 115800026
3-(1-propylimidazol-2-yl)pentan-3-ol
CID 63974999

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylimidazol-2-yl)-1-(methylamino)propan-2-ol?
The IUPAC name of 2-(1-ethylimidazol-2-yl)-1-(methylamino)propan-2-ol (CID 66038409) is 2-(1-ethylimidazol-2-yl)-1-(methylamino)propan-2-ol.
What is the SMILES notation for 2-(1-ethylimidazol-2-yl)-1-(methylamino)propan-2-ol?
The canonical SMILES for 2-(1-ethylimidazol-2-yl)-1-(methylamino)propan-2-ol is CCn1ccnc1C(C)(O)CNC.
What is the InChIKey of 2-(1-ethylimidazol-2-yl)-1-(methylamino)propan-2-ol?
The InChIKey is ZHPCVUCLGLMHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-4-12-6-5-11-8(12)9(2,13)7-10-3/h5-6,10,13H,4,7H2,1-3H3.
What are the key properties of 2-(1-ethylimidazol-2-yl)-1-(methylamino)propan-2-ol?
2-(1-ethylimidazol-2-yl)-1-(methylamino)propan-2-ol has a molecular weight of 183.25 g/mol, XLogP of 0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylimidazol-2-yl)-1-(methylamino)propan-2-ol is sourced from PubChem (CID 66038409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).