2-(4,5-dihydro-1H-imidazol-2-ylamino)-2-ethylbutan-1-ol

C9H19N3O — CID 114400186

IUPAC2-(4,5-dihydro-1H-imidazol-2-ylamino)-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)NC1=NCCN1
InChIInChI=1S/C9H19N3O/c1-3-9(4-2,7-13)12-8-10-5-6-11-8/h13H,3-7H2,1-2H3,(H2,10,11,12)
InChIKeyUUBGRBVGXXSJBO-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.09
Rot. Bonds4

About 2-(4,5-dihydro-1H-imidazol-2-ylamino)-2-ethylbutan-1-ol

2-(4,5-dihydro-1H-imidazol-2-ylamino)-2-ethylbutan-1-ol (PubChem CID 114400186) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-imidazol-2-ylamino)-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-imidazol-2-ylamino)-2-ethylbutan-1-ol
PubChem CID114400186
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name2-(4,5-dihydro-1H-imidazol-2-ylamino)-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)NC1=NCCN1
InChIInChI=1S/C9H19N3O/c1-3-9(4-2,7-13)12-8-10-5-6-11-8/h13H,3-7H2,1-2H3,(H2,10,11,12)
InChIKeyUUBGRBVGXXSJBO-UHFFFAOYSA-N
XLogP0.09
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-ylamino)-2-ethylbutan-1-ol?
The IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-ylamino)-2-ethylbutan-1-ol (CID 114400186) is 2-(4,5-dihydro-1H-imidazol-2-ylamino)-2-ethylbutan-1-ol.
What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-2-ylamino)-2-ethylbutan-1-ol?
The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-2-ylamino)-2-ethylbutan-1-ol is CCC(CC)(CO)NC1=NCCN1.
What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-2-ylamino)-2-ethylbutan-1-ol?
The InChIKey is UUBGRBVGXXSJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-3-9(4-2,7-13)12-8-10-5-6-11-8/h13H,3-7H2,1-2H3,(H2,10,11,12).
What are the key properties of 2-(4,5-dihydro-1H-imidazol-2-ylamino)-2-ethylbutan-1-ol?
2-(4,5-dihydro-1H-imidazol-2-ylamino)-2-ethylbutan-1-ol has a molecular weight of 185.27 g/mol, XLogP of 0.09, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1H-imidazol-2-ylamino)-2-ethylbutan-1-ol is sourced from PubChem (CID 114400186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).