2-amino-1-(3-methylimidazol-4-yl)butan-1-ol

C8H15N3O — CID 66116586

IUPAC2-amino-1-(3-methylimidazol-4-yl)butan-1-ol
SMILESCCC(N)C(O)c1cncn1C
InChIInChI=1S/C8H15N3O/c1-3-6(9)8(12)7-4-10-5-11(7)2/h4-6,8,12H,3,9H2,1-2H3
InChIKeyYVLUACSWPQQANC-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.19
Rot. Bonds3

About 2-amino-1-(3-methylimidazol-4-yl)butan-1-ol

2-amino-1-(3-methylimidazol-4-yl)butan-1-ol (PubChem CID 66116586) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 2-amino-1-(3-methylimidazol-4-yl)butan-1-ol.

Molecular Properties

Compound Name2-amino-1-(3-methylimidazol-4-yl)butan-1-ol
PubChem CID66116586
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name2-amino-1-(3-methylimidazol-4-yl)butan-1-ol
SMILESCCC(N)C(O)c1cncn1C
InChIInChI=1S/C8H15N3O/c1-3-6(9)8(12)7-4-10-5-11(7)2/h4-6,8,12H,3,9H2,1-2H3
InChIKeyYVLUACSWPQQANC-UHFFFAOYSA-N
XLogP0.19
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(3-propylimidazol-4-yl)butan-1-ol
CID 66129932
2-amino-1-(3-ethylimidazol-4-yl)butan-1-ol
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(1S,2S)-2-amino-3-methyl-1-(3-methylimidazol-4-yl)butan-1-ol
CID 131093413
4-hydroxy-3-methyl-4-(3-methylimidazol-4-yl)butanoic acid
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1-(3-methylimidazol-4-yl)hexan-1-ol
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(1S)-1-(3-methylimidazol-4-yl)ethanamine
CID 82898137
4-chloro-1-(3-methylimidazol-4-yl)butane-1,2-diol
CID 171893204
ethyl 3-hydroxy-3-(3-methylimidazol-4-yl)propanoate
CID 66118831
N-methyl-1-(3-methylimidazol-4-yl)propan-1-amine
CID 82903287
N-[2,3-dihydroxy-3-(3-methylimidazol-4-yl)propyl]acetamide
CID 170829461
N'-methyl-1-(3-methylimidazol-4-yl)methanediamine
CID 170132985
2-hydroxy-2-(3-methylimidazol-4-yl)acetic acid;hydrochloride
CID 86813184

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-methylimidazol-4-yl)butan-1-ol?
The IUPAC name of 2-amino-1-(3-methylimidazol-4-yl)butan-1-ol (CID 66116586) is 2-amino-1-(3-methylimidazol-4-yl)butan-1-ol.
What is the SMILES notation for 2-amino-1-(3-methylimidazol-4-yl)butan-1-ol?
The canonical SMILES for 2-amino-1-(3-methylimidazol-4-yl)butan-1-ol is CCC(N)C(O)c1cncn1C.
What is the InChIKey of 2-amino-1-(3-methylimidazol-4-yl)butan-1-ol?
The InChIKey is YVLUACSWPQQANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-3-6(9)8(12)7-4-10-5-11(7)2/h4-6,8,12H,3,9H2,1-2H3.
What are the key properties of 2-amino-1-(3-methylimidazol-4-yl)butan-1-ol?
2-amino-1-(3-methylimidazol-4-yl)butan-1-ol has a molecular weight of 169.23 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-methylimidazol-4-yl)butan-1-ol is sourced from PubChem (CID 66116586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).