2-(ethylamino)-4-(2-ethylimidazol-1-yl)butan-1-ol

C11H21N3O — CID 64809680

IUPAC2-(ethylamino)-4-(2-ethylimidazol-1-yl)butan-1-ol
SMILESCCNC(CO)CCn1ccnc1CC
InChIInChI=1S/C11H21N3O/c1-3-11-13-6-8-14(11)7-5-10(9-15)12-4-2/h6,8,10,12,15H,3-5,7,9H2,1-2H3
InChIKeyAUANGWMLSHMDBT-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.81
Rot. Bonds7

About 2-(ethylamino)-4-(2-ethylimidazol-1-yl)butan-1-ol

2-(ethylamino)-4-(2-ethylimidazol-1-yl)butan-1-ol (PubChem CID 64809680) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-(ethylamino)-4-(2-ethylimidazol-1-yl)butan-1-ol.

Molecular Properties

Compound Name2-(ethylamino)-4-(2-ethylimidazol-1-yl)butan-1-ol
PubChem CID64809680
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2-(ethylamino)-4-(2-ethylimidazol-1-yl)butan-1-ol
SMILESCCNC(CO)CCn1ccnc1CC
InChIInChI=1S/C11H21N3O/c1-3-11-13-6-8-14(11)7-5-10(9-15)12-4-2/h6,8,10,12,15H,3-5,7,9H2,1-2H3
InChIKeyAUANGWMLSHMDBT-UHFFFAOYSA-N
XLogP0.81
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(ethylamino)-4-(2-ethylimidazol-1-yl)butanoate
CID 55143375
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CID 64810250
3-(2-ethylimidazol-1-yl)-2-(propan-2-ylamino)propan-1-ol
CID 64810311
6-(2-ethylimidazol-1-yl)-N-methylhexan-3-amine
CID 106800331
2-ethyl-1-[6-(2-ethylimidazol-1-yl)hexyl]imidazole
CID 132598751
N-[2-(2-ethylimidazol-1-yl)ethyl]-3-methylbutan-2-amine
CID 62565130
3-(ethylamino)-4-(2-methylimidazol-1-yl)butan-1-ol
CID 64900571
N-ethyl-4-propoxy-1-(1-propylimidazol-2-yl)butan-2-amine
CID 105167661
N-[2-(2-ethylimidazol-1-yl)ethyl]heptan-2-amine
CID 62565525
3-(2-ethylimidazol-1-yl)propanoic acid
CID 579344
N-ethyl-6-methyl-1-(1-methylimidazol-2-yl)heptan-3-amine
CID 114530055
N-ethyl-1-(1-ethylimidazol-2-yl)hexan-2-amine
CID 79761292

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4-(2-ethylimidazol-1-yl)butan-1-ol?
The IUPAC name of 2-(ethylamino)-4-(2-ethylimidazol-1-yl)butan-1-ol (CID 64809680) is 2-(ethylamino)-4-(2-ethylimidazol-1-yl)butan-1-ol.
What is the SMILES notation for 2-(ethylamino)-4-(2-ethylimidazol-1-yl)butan-1-ol?
The canonical SMILES for 2-(ethylamino)-4-(2-ethylimidazol-1-yl)butan-1-ol is CCNC(CO)CCn1ccnc1CC.
What is the InChIKey of 2-(ethylamino)-4-(2-ethylimidazol-1-yl)butan-1-ol?
The InChIKey is AUANGWMLSHMDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-3-11-13-6-8-14(11)7-5-10(9-15)12-4-2/h6,8,10,12,15H,3-5,7,9H2,1-2H3.
What are the key properties of 2-(ethylamino)-4-(2-ethylimidazol-1-yl)butan-1-ol?
2-(ethylamino)-4-(2-ethylimidazol-1-yl)butan-1-ol has a molecular weight of 211.31 g/mol, XLogP of 0.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-4-(2-ethylimidazol-1-yl)butan-1-ol is sourced from PubChem (CID 64809680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).