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

C10H19N3O — CID 64900571

IUPAC3-(ethylamino)-4-(2-methylimidazol-1-yl)butan-1-ol
SMILESCCNC(CCO)Cn1ccnc1C
InChIInChI=1S/C10H19N3O/c1-3-11-10(4-7-14)8-13-6-5-12-9(13)2/h5-6,10-11,14H,3-4,7-8H2,1-2H3
InChIKeyCJPMXKOVHFOJIG-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.55
Rot. Bonds6

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

3-(ethylamino)-4-(2-methylimidazol-1-yl)butan-1-ol (PubChem CID 64900571) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 3-(ethylamino)-4-(2-methylimidazol-1-yl)butan-1-ol.

Molecular Properties

Compound Name3-(ethylamino)-4-(2-methylimidazol-1-yl)butan-1-ol
PubChem CID64900571
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name3-(ethylamino)-4-(2-methylimidazol-1-yl)butan-1-ol
SMILESCCNC(CCO)Cn1ccnc1C
InChIInChI=1S/C10H19N3O/c1-3-11-10(4-7-14)8-13-6-5-12-9(13)2/h5-6,10-11,14H,3-4,7-8H2,1-2H3
InChIKeyCJPMXKOVHFOJIG-UHFFFAOYSA-N
XLogP0.55
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-4-(2-methylimidazol-1-yl)butan-1-ol?
The IUPAC name of 3-(ethylamino)-4-(2-methylimidazol-1-yl)butan-1-ol (CID 64900571) is 3-(ethylamino)-4-(2-methylimidazol-1-yl)butan-1-ol.
What is the SMILES notation for 3-(ethylamino)-4-(2-methylimidazol-1-yl)butan-1-ol?
The canonical SMILES for 3-(ethylamino)-4-(2-methylimidazol-1-yl)butan-1-ol is CCNC(CCO)Cn1ccnc1C.
What is the InChIKey of 3-(ethylamino)-4-(2-methylimidazol-1-yl)butan-1-ol?
The InChIKey is CJPMXKOVHFOJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-3-11-10(4-7-14)8-13-6-5-12-9(13)2/h5-6,10-11,14H,3-4,7-8H2,1-2H3.
What are the key properties of 3-(ethylamino)-4-(2-methylimidazol-1-yl)butan-1-ol?
3-(ethylamino)-4-(2-methylimidazol-1-yl)butan-1-ol has a molecular weight of 197.28 g/mol, XLogP of 0.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-4-(2-methylimidazol-1-yl)butan-1-ol is sourced from PubChem (CID 64900571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).