3-amino-1-(3-cyclopropylimidazol-4-yl)-2,2-dimethylpropan-1-ol

C11H19N3O — CID 79126294

IUPAC3-amino-1-(3-cyclopropylimidazol-4-yl)-2,2-dimethylpropan-1-ol
SMILESCC(C)(CN)C(O)c1cncn1C1CC1
InChIInChI=1S/C11H19N3O/c1-11(2,6-12)10(15)9-5-13-7-14(9)8-3-4-8/h5,7-8,10,15H,3-4,6,12H2,1-2H3
InChIKeyBWIDIHTUTKXORS-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.24
Rot. Bonds4

About 3-amino-1-(3-cyclopropylimidazol-4-yl)-2,2-dimethylpropan-1-ol

3-amino-1-(3-cyclopropylimidazol-4-yl)-2,2-dimethylpropan-1-ol (PubChem CID 79126294) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-amino-1-(3-cyclopropylimidazol-4-yl)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-amino-1-(3-cyclopropylimidazol-4-yl)-2,2-dimethylpropan-1-ol
PubChem CID79126294
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3-amino-1-(3-cyclopropylimidazol-4-yl)-2,2-dimethylpropan-1-ol
SMILESCC(C)(CN)C(O)c1cncn1C1CC1
InChIInChI=1S/C11H19N3O/c1-11(2,6-12)10(15)9-5-13-7-14(9)8-3-4-8/h5,7-8,10,15H,3-4,6,12H2,1-2H3
InChIKeyBWIDIHTUTKXORS-UHFFFAOYSA-N
XLogP1.24
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-(3-cyclopropylimidazol-4-yl)propan-1-ol
CID 79126295
2-amino-1-(3-cyclobutylimidazol-4-yl)ethanol
CID 83875789
1-(3-cyclopropylimidazol-4-yl)-3-methylbutan-1-ol
CID 66141454
1-(3-cyclopropylimidazol-4-yl)-4,4,4-trifluorobutan-1-ol
CID 66142466
3-(3-cyclopropylimidazol-4-yl)-3-hydroxypropanoic acid
CID 66142482
1-(3-cyclopropylimidazol-4-yl)-2-(4-methylphenyl)ethanol
CID 66142465
1-(3-cyclopropylimidazol-4-yl)-2-ethoxyethanol
CID 79567273
1-(3-cyclopropylimidazol-4-yl)-N,N-diethylethane-1,2-diamine
CID 66141826
4-amino-3-(3-cyclopropylimidazol-4-yl)pentan-1-ol
CID 66140672
1-(3-cyclopropylimidazol-4-yl)-2,2,2-trifluoroethanamine
CID 66140665
ethyl 4-(3-cyclopropylimidazol-4-yl)-4-hydroxybutanoate
CID 66162909
1-(3-cyclopropylimidazol-4-yl)-2-(4-propan-2-ylphenyl)ethanol
CID 66139864

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-cyclopropylimidazol-4-yl)-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-amino-1-(3-cyclopropylimidazol-4-yl)-2,2-dimethylpropan-1-ol (CID 79126294) is 3-amino-1-(3-cyclopropylimidazol-4-yl)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-amino-1-(3-cyclopropylimidazol-4-yl)-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-amino-1-(3-cyclopropylimidazol-4-yl)-2,2-dimethylpropan-1-ol is CC(C)(CN)C(O)c1cncn1C1CC1.
What is the InChIKey of 3-amino-1-(3-cyclopropylimidazol-4-yl)-2,2-dimethylpropan-1-ol?
The InChIKey is BWIDIHTUTKXORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-11(2,6-12)10(15)9-5-13-7-14(9)8-3-4-8/h5,7-8,10,15H,3-4,6,12H2,1-2H3.
What are the key properties of 3-amino-1-(3-cyclopropylimidazol-4-yl)-2,2-dimethylpropan-1-ol?
3-amino-1-(3-cyclopropylimidazol-4-yl)-2,2-dimethylpropan-1-ol has a molecular weight of 209.29 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-cyclopropylimidazol-4-yl)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 79126294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).