1-(tert-butylamino)-3-(2-ethylimidazol-1-yl)propan-2-ol

C12H23N3O — CID 115475677

IUPAC1-(tert-butylamino)-3-(2-ethylimidazol-1-yl)propan-2-ol
SMILESCCc1nccn1CC(O)CNC(C)(C)C
InChIInChI=1S/C12H23N3O/c1-5-11-13-6-7-15(11)9-10(16)8-14-12(2,3)4/h6-7,10,14,16H,5,8-9H2,1-4H3
InChIKeyCKZRJTMOKUVNGB-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.19
Rot. Bonds5

About 1-(tert-butylamino)-3-(2-ethylimidazol-1-yl)propan-2-ol

1-(tert-butylamino)-3-(2-ethylimidazol-1-yl)propan-2-ol (PubChem CID 115475677) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-(2-ethylimidazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-3-(2-ethylimidazol-1-yl)propan-2-ol
PubChem CID115475677
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name1-(tert-butylamino)-3-(2-ethylimidazol-1-yl)propan-2-ol
SMILESCCc1nccn1CC(O)CNC(C)(C)C
InChIInChI=1S/C12H23N3O/c1-5-11-13-6-7-15(11)9-10(16)8-14-12(2,3)4/h6-7,10,14,16H,5,8-9H2,1-4H3
InChIKeyCKZRJTMOKUVNGB-UHFFFAOYSA-N
XLogP1.19
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(tert-butylamino)-3-(2-thiophen-2-ylimidazol-1-yl)propan-2-ol
CID 115475685
N-tert-butyl-2-[(2-ethylimidazol-1-yl)methyl]prop-2-en-1-amine
CID 103072227
N-tert-butyl-2-(2-ethylimidazol-1-yl)-3-methylbutan-1-amine
CID 55072805
N-[[2-[(2-ethylimidazol-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 62442763
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(2-ethylimidazol-1-yl)propan-2-ol
CID 109411205
1-[3-(tert-butylamino)-2-hydroxypropyl]-3-methylimidazol-2-one
CID 115475868
3-(2-ethylimidazol-1-yl)-2-(propan-2-ylamino)propan-1-ol
CID 64810311
N-[[1-(ethoxymethyl)imidazol-2-yl]methyl]-2-methylpropan-2-amine
CID 65369489
1-(ethylamino)-3-(2-methylimidazol-1-yl)propan-2-ol
CID 43165910
1-(2,5-dimethylphenoxy)-3-(2-ethylimidazol-1-yl)propan-2-ol
CID 109411226
1-(4-tert-butylphenyl)-2-(2-ethylimidazol-1-yl)ethanamine
CID 61405424
1-[(3-chloro-2,3-dimethylbutan-2-yl)amino]-3-(2-nitroimidazol-1-yl)propan-2-ol
CID 14621580

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-3-(2-ethylimidazol-1-yl)propan-2-ol?
The IUPAC name of 1-(tert-butylamino)-3-(2-ethylimidazol-1-yl)propan-2-ol (CID 115475677) is 1-(tert-butylamino)-3-(2-ethylimidazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-3-(2-ethylimidazol-1-yl)propan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-3-(2-ethylimidazol-1-yl)propan-2-ol is CCc1nccn1CC(O)CNC(C)(C)C.
What is the InChIKey of 1-(tert-butylamino)-3-(2-ethylimidazol-1-yl)propan-2-ol?
The InChIKey is CKZRJTMOKUVNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-5-11-13-6-7-15(11)9-10(16)8-14-12(2,3)4/h6-7,10,14,16H,5,8-9H2,1-4H3.
What are the key properties of 1-(tert-butylamino)-3-(2-ethylimidazol-1-yl)propan-2-ol?
1-(tert-butylamino)-3-(2-ethylimidazol-1-yl)propan-2-ol has a molecular weight of 225.34 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-3-(2-ethylimidazol-1-yl)propan-2-ol is sourced from PubChem (CID 115475677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).