3-[(1-ethylimidazol-2-yl)amino]-2-methylbutan-2-ol

C10H19N3O — CID 127013523

IUPAC3-[(1-ethylimidazol-2-yl)amino]-2-methylbutan-2-ol
SMILESCCn1ccnc1NC(C)C(C)(C)O
InChIInChI=1S/C10H19N3O/c1-5-13-7-6-11-9(13)12-8(2)10(3,4)14/h6-8,14H,5H2,1-4H3,(H,11,12)
InChIKeyIAQOKQDURAJXNM-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.47
Rot. Bonds4

About 3-[(1-ethylimidazol-2-yl)amino]-2-methylbutan-2-ol

3-[(1-ethylimidazol-2-yl)amino]-2-methylbutan-2-ol (PubChem CID 127013523) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 3-[(1-ethylimidazol-2-yl)amino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name3-[(1-ethylimidazol-2-yl)amino]-2-methylbutan-2-ol
PubChem CID127013523
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name3-[(1-ethylimidazol-2-yl)amino]-2-methylbutan-2-ol
SMILESCCn1ccnc1NC(C)C(C)(C)O
InChIInChI=1S/C10H19N3O/c1-5-13-7-6-11-9(13)12-8(2)10(3,4)14/h6-8,14H,5H2,1-4H3,(H,11,12)
InChIKeyIAQOKQDURAJXNM-UHFFFAOYSA-N
XLogP1.47
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-butyl-N-(3,3-dimethylbutan-2-yl)imidazol-2-amine
CID 106580868
3-[(1-ethylimidazol-2-yl)amino]butanoic acid
CID 62138209
N-(1-cyclopropylethyl)-1-ethylimidazol-2-amine
CID 62136953
1-ethyl-N-heptan-2-ylimidazol-2-amine
CID 62137318
3-[(1-ethylimidazol-2-yl)amino]-2,2-dimethylpropan-1-ol
CID 115360823
1-ethyl-N-[1-(4-fluorophenyl)propan-2-yl]imidazol-2-amine
CID 62995363
3-N-(1-ethylimidazol-2-yl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 62139161
2-[(1-ethylimidazol-2-yl)amino]-3-methoxypropan-1-ol
CID 106186173
1-ethyl-N-(1-imidazol-1-ylpropan-2-yl)imidazol-2-amine
CID 62138049
3-[(1-ethylimidazol-2-yl)amino]-3-methylbutanoic acid
CID 64701562
1-(2-methyl-2-methylsulfanylpropyl)-N-propan-2-ylimidazol-2-amine
CID 106580897
2-[(1-ethylimidazol-2-yl)amino]-2-methylpropanamide
CID 62139157

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylimidazol-2-yl)amino]-2-methylbutan-2-ol?
The IUPAC name of 3-[(1-ethylimidazol-2-yl)amino]-2-methylbutan-2-ol (CID 127013523) is 3-[(1-ethylimidazol-2-yl)amino]-2-methylbutan-2-ol.
What is the SMILES notation for 3-[(1-ethylimidazol-2-yl)amino]-2-methylbutan-2-ol?
The canonical SMILES for 3-[(1-ethylimidazol-2-yl)amino]-2-methylbutan-2-ol is CCn1ccnc1NC(C)C(C)(C)O.
What is the InChIKey of 3-[(1-ethylimidazol-2-yl)amino]-2-methylbutan-2-ol?
The InChIKey is IAQOKQDURAJXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-5-13-7-6-11-9(13)12-8(2)10(3,4)14/h6-8,14H,5H2,1-4H3,(H,11,12).
What are the key properties of 3-[(1-ethylimidazol-2-yl)amino]-2-methylbutan-2-ol?
3-[(1-ethylimidazol-2-yl)amino]-2-methylbutan-2-ol has a molecular weight of 197.28 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylimidazol-2-yl)amino]-2-methylbutan-2-ol is sourced from PubChem (CID 127013523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).