2-amino-2-[3-(2-methylpropyl)imidazol-4-yl]ethanol

C9H17N3O — CID 83876289

IUPAC2-amino-2-[3-(2-methylpropyl)imidazol-4-yl]ethanol
SMILESCC(C)Cn1cncc1C(N)CO
InChIInChI=1S/C9H17N3O/c1-7(2)4-12-6-11-3-9(12)8(10)5-13/h3,6-8,13H,4-5,10H2,1-2H3
InChIKeyKMDAUUVMQKWDMW-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.53
Rot. Bonds4

About 2-amino-2-[3-(2-methylpropyl)imidazol-4-yl]ethanol

2-amino-2-[3-(2-methylpropyl)imidazol-4-yl]ethanol (PubChem CID 83876289) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-amino-2-[3-(2-methylpropyl)imidazol-4-yl]ethanol.

Molecular Properties

Compound Name2-amino-2-[3-(2-methylpropyl)imidazol-4-yl]ethanol
PubChem CID83876289
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name2-amino-2-[3-(2-methylpropyl)imidazol-4-yl]ethanol
SMILESCC(C)Cn1cncc1C(N)CO
InChIInChI=1S/C9H17N3O/c1-7(2)4-12-6-11-3-9(12)8(10)5-13/h3,6-8,13H,4-5,10H2,1-2H3
InChIKeyKMDAUUVMQKWDMW-UHFFFAOYSA-N
XLogP0.53
TPSA64.07 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 ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-[3-(cyclopropylmethyl)imidazol-4-yl]ethanol
CID 114703672
2-amino-2-[3-[2-(2-methoxyethoxy)ethyl]imidazol-4-yl]ethanol
CID 114704613
2-amino-2-[3-(3-ethoxypropyl)imidazol-4-yl]ethanol
CID 114703406
(1R)-1-[3-(3-methyl-2-propan-2-ylbutyl)imidazol-4-yl]propan-1-amine
CID 102909113
2-amino-2-(3-tert-butylimidazol-4-yl)ethanol
CID 83876291
2-amino-2-[3-[(1-methylimidazol-2-yl)methyl]imidazol-4-yl]ethanol
CID 114706186
2-amino-2-[3-[2-(1-methylpiperidin-4-yl)ethyl]imidazol-4-yl]ethanol
CID 114707688
1-[3-(2-cyclopropylpropyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114707362
3-[5-(1-amino-2-hydroxyethyl)imidazol-1-yl]-N,2,2-trimethylpropanamide
CID 106278183
1-[3-(2,2-dicyclopropylethyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 114706506
2-amino-2-[3-(pyridin-2-ylmethyl)imidazol-4-yl]ethanol
CID 114703272
(1R)-1-[3-(2,3-dimethylbutyl)imidazol-4-yl]ethanamine
CID 104943294

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[3-(2-methylpropyl)imidazol-4-yl]ethanol?
The IUPAC name of 2-amino-2-[3-(2-methylpropyl)imidazol-4-yl]ethanol (CID 83876289) is 2-amino-2-[3-(2-methylpropyl)imidazol-4-yl]ethanol.
What is the SMILES notation for 2-amino-2-[3-(2-methylpropyl)imidazol-4-yl]ethanol?
The canonical SMILES for 2-amino-2-[3-(2-methylpropyl)imidazol-4-yl]ethanol is CC(C)Cn1cncc1C(N)CO.
What is the InChIKey of 2-amino-2-[3-(2-methylpropyl)imidazol-4-yl]ethanol?
The InChIKey is KMDAUUVMQKWDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-7(2)4-12-6-11-3-9(12)8(10)5-13/h3,6-8,13H,4-5,10H2,1-2H3.
What are the key properties of 2-amino-2-[3-(2-methylpropyl)imidazol-4-yl]ethanol?
2-amino-2-[3-(2-methylpropyl)imidazol-4-yl]ethanol has a molecular weight of 183.25 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[3-(2-methylpropyl)imidazol-4-yl]ethanol is sourced from PubChem (CID 83876289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).