3-amino-2-(1-ethylimidazol-2-yl)propan-1-ol

C8H15N3O — CID 63215997

IUPAC3-amino-2-(1-ethylimidazol-2-yl)propan-1-ol
SMILESCCn1ccnc1C(CN)CO
InChIInChI=1S/C8H15N3O/c1-2-11-4-3-10-8(11)7(5-9)6-12/h3-4,7,12H,2,5-6,9H2,1H3
InChIKeyCJRGRMJMYLMZOB-UHFFFAOYSA-N
MW169.23 g/mol
LogP-0.06
Rot. Bonds4

About 3-amino-2-(1-ethylimidazol-2-yl)propan-1-ol

3-amino-2-(1-ethylimidazol-2-yl)propan-1-ol (PubChem CID 63215997) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 3-amino-2-(1-ethylimidazol-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(1-ethylimidazol-2-yl)propan-1-ol
PubChem CID63215997
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name3-amino-2-(1-ethylimidazol-2-yl)propan-1-ol
SMILESCCn1ccnc1C(CN)CO
InChIInChI=1S/C8H15N3O/c1-2-11-4-3-10-8(11)7(5-9)6-12/h3-4,7,12H,2,5-6,9H2,1H3
InChIKeyCJRGRMJMYLMZOB-UHFFFAOYSA-N
XLogP-0.06
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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3-(1-ethylimidazol-2-yl)-2,3-dihydroxypropanamide
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(4-chloro-2,5-difluorophenyl)-(1-ethylimidazol-2-yl)methanamine
CID 82772685
[1-(1-ethylimidazol-2-yl)-2-methylsulfanylethyl]hydrazine
CID 105213757
1-(1-ethylimidazol-2-yl)-2,2-dimethylbutan-1-ol
CID 115800026
2-(aminomethyl)-1-(1-ethylimidazol-2-yl)pentan-1-one
CID 116574576
2-butan-2-ylsulfanyl-1-(1-ethylimidazol-2-yl)ethanol
CID 65136113
1-(1-ethylimidazol-2-yl)-3,3-dimethylbutane-1,2-diol
CID 103457324
1-(1-ethylimidazol-2-yl)-N',N'-dimethylethane-1,2-diamine
CID 79092901
1-(1-ethylimidazol-2-yl)-2-methoxypropan-1-ol
CID 79616649

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(1-ethylimidazol-2-yl)propan-1-ol?
The IUPAC name of 3-amino-2-(1-ethylimidazol-2-yl)propan-1-ol (CID 63215997) is 3-amino-2-(1-ethylimidazol-2-yl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(1-ethylimidazol-2-yl)propan-1-ol?
The canonical SMILES for 3-amino-2-(1-ethylimidazol-2-yl)propan-1-ol is CCn1ccnc1C(CN)CO.
What is the InChIKey of 3-amino-2-(1-ethylimidazol-2-yl)propan-1-ol?
The InChIKey is CJRGRMJMYLMZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-2-11-4-3-10-8(11)7(5-9)6-12/h3-4,7,12H,2,5-6,9H2,1H3.
What are the key properties of 3-amino-2-(1-ethylimidazol-2-yl)propan-1-ol?
3-amino-2-(1-ethylimidazol-2-yl)propan-1-ol has a molecular weight of 169.23 g/mol, XLogP of -0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(1-ethylimidazol-2-yl)propan-1-ol is sourced from PubChem (CID 63215997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).