2-amino-1-(3-ethylimidazol-4-yl)-3-methylbutan-1-ol

C10H19N3O — CID 115347562

IUPAC2-amino-1-(3-ethylimidazol-4-yl)-3-methylbutan-1-ol
SMILESCCn1cncc1C(O)C(N)C(C)C
InChIInChI=1S/C10H19N3O/c1-4-13-6-12-5-8(13)10(14)9(11)7(2)3/h5-7,9-10,14H,4,11H2,1-3H3
InChIKeyKHIIZSNTARHWEI-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.92
Rot. Bonds4

About 2-amino-1-(3-ethylimidazol-4-yl)-3-methylbutan-1-ol

2-amino-1-(3-ethylimidazol-4-yl)-3-methylbutan-1-ol (PubChem CID 115347562) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-amino-1-(3-ethylimidazol-4-yl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-amino-1-(3-ethylimidazol-4-yl)-3-methylbutan-1-ol
PubChem CID115347562
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name2-amino-1-(3-ethylimidazol-4-yl)-3-methylbutan-1-ol
SMILESCCn1cncc1C(O)C(N)C(C)C
InChIInChI=1S/C10H19N3O/c1-4-13-6-12-5-8(13)10(14)9(11)7(2)3/h5-7,9-10,14H,4,11H2,1-3H3
InChIKeyKHIIZSNTARHWEI-UHFFFAOYSA-N
XLogP0.92
TPSA64.07 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 ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(3-ethylimidazol-4-yl)butan-1-ol
CID 66133374
(1S,2S)-2-amino-3-methyl-1-(3-methylimidazol-4-yl)butan-1-ol
CID 131093413
ethyl 2-[(3-ethylimidazol-4-yl)-hydroxymethyl]-3-methylbutanoate
CID 66134341
5-amino-4-(3-ethylimidazol-4-yl)pentan-2-ol
CID 81422830
2-(3-ethylimidazol-4-yl)propanoic acid
CID 83873746
2-amino-1-(3-propylimidazol-4-yl)butan-1-ol
CID 66129932
3-amino-3-(3-ethylimidazol-4-yl)propanoic acid
CID 66132745
1-(3-ethylimidazol-4-yl)prop-2-en-1-ol
CID 66132482
1-(3-ethylimidazol-4-yl)-3-methylbut-2-en-1-ol
CID 79190582
1-(3-ethylimidazol-4-yl)-2-methoxyethanol
CID 79566598
(1R)-1-[3-(2,2,2-trifluoroethyl)imidazol-4-yl]ethanamine
CID 104941818
1-(3-ethylimidazol-4-yl)-2-(4-ethylphenyl)ethanol
CID 66134129

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-ethylimidazol-4-yl)-3-methylbutan-1-ol?
The IUPAC name of 2-amino-1-(3-ethylimidazol-4-yl)-3-methylbutan-1-ol (CID 115347562) is 2-amino-1-(3-ethylimidazol-4-yl)-3-methylbutan-1-ol.
What is the SMILES notation for 2-amino-1-(3-ethylimidazol-4-yl)-3-methylbutan-1-ol?
The canonical SMILES for 2-amino-1-(3-ethylimidazol-4-yl)-3-methylbutan-1-ol is CCn1cncc1C(O)C(N)C(C)C.
What is the InChIKey of 2-amino-1-(3-ethylimidazol-4-yl)-3-methylbutan-1-ol?
The InChIKey is KHIIZSNTARHWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-4-13-6-12-5-8(13)10(14)9(11)7(2)3/h5-7,9-10,14H,4,11H2,1-3H3.
What are the key properties of 2-amino-1-(3-ethylimidazol-4-yl)-3-methylbutan-1-ol?
2-amino-1-(3-ethylimidazol-4-yl)-3-methylbutan-1-ol has a molecular weight of 197.28 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-ethylimidazol-4-yl)-3-methylbutan-1-ol is sourced from PubChem (CID 115347562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).