1-(ethylamino)-3-(2-methylimidazol-1-yl)propan-2-ol

C9H17N3O — CID 43165910

IUPAC1-(ethylamino)-3-(2-methylimidazol-1-yl)propan-2-ol
SMILESCCNCC(O)Cn1ccnc1C
InChIInChI=1S/C9H17N3O/c1-3-10-6-9(13)7-12-5-4-11-8(12)2/h4-5,9-10,13H,3,6-7H2,1-2H3
InChIKeyNDNZZKYYGFYMJA-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.16
Rot. Bonds5

About 1-(ethylamino)-3-(2-methylimidazol-1-yl)propan-2-ol

1-(ethylamino)-3-(2-methylimidazol-1-yl)propan-2-ol (PubChem CID 43165910) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-(ethylamino)-3-(2-methylimidazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(ethylamino)-3-(2-methylimidazol-1-yl)propan-2-ol
PubChem CID43165910
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name1-(ethylamino)-3-(2-methylimidazol-1-yl)propan-2-ol
SMILESCCNCC(O)Cn1ccnc1C
InChIInChI=1S/C9H17N3O/c1-3-10-6-9(13)7-12-5-4-11-8(12)2/h4-5,9-10,13H,3,6-7H2,1-2H3
InChIKeyNDNZZKYYGFYMJA-UHFFFAOYSA-N
XLogP0.16
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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1-(2-fluorobutyl)-2-methylimidazole
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2-ethoxy-3-(2-methylimidazol-1-yl)propanoic acid
CID 63073563
1-(2-hydroxy-4-methylpentyl)-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea
CID 110911491
3-[3-(ethylamino)-2-hydroxypropyl]-5-iodo-2-methylpyrimidin-4-one
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1-(tert-butylamino)-3-(2-ethylimidazol-1-yl)propan-2-ol
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[2-(2-methylimidazol-1-yl)-1-phosphonoethyl]phosphonic acid
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Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-3-(2-methylimidazol-1-yl)propan-2-ol?
The IUPAC name of 1-(ethylamino)-3-(2-methylimidazol-1-yl)propan-2-ol (CID 43165910) is 1-(ethylamino)-3-(2-methylimidazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-(ethylamino)-3-(2-methylimidazol-1-yl)propan-2-ol?
The canonical SMILES for 1-(ethylamino)-3-(2-methylimidazol-1-yl)propan-2-ol is CCNCC(O)Cn1ccnc1C.
What is the InChIKey of 1-(ethylamino)-3-(2-methylimidazol-1-yl)propan-2-ol?
The InChIKey is NDNZZKYYGFYMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-3-10-6-9(13)7-12-5-4-11-8(12)2/h4-5,9-10,13H,3,6-7H2,1-2H3.
What are the key properties of 1-(ethylamino)-3-(2-methylimidazol-1-yl)propan-2-ol?
1-(ethylamino)-3-(2-methylimidazol-1-yl)propan-2-ol has a molecular weight of 183.25 g/mol, XLogP of 0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-3-(2-methylimidazol-1-yl)propan-2-ol is sourced from PubChem (CID 43165910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).