3-[2-(4,5-dihydroimidazol-1-yl)ethyl-ethylamino]propan-1-ol

C10H21N3O — CID 141140000

IUPAC3-[2-(4,5-dihydroimidazol-1-yl)ethyl-ethylamino]propan-1-ol
SMILESCCN(CCCO)CCN1C=NCC1
InChIInChI=1S/C10H21N3O/c1-2-12(5-3-9-14)7-8-13-6-4-11-10-13/h10,14H,2-9H2,1H3
InChIKeyUCSJAXFCGXKTPP-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.03
Rot. Bonds7

About 3-[2-(4,5-dihydroimidazol-1-yl)ethyl-ethylamino]propan-1-ol

3-[2-(4,5-dihydroimidazol-1-yl)ethyl-ethylamino]propan-1-ol (PubChem CID 141140000) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 3-[2-(4,5-dihydroimidazol-1-yl)ethyl-ethylamino]propan-1-ol.

Molecular Properties

Compound Name3-[2-(4,5-dihydroimidazol-1-yl)ethyl-ethylamino]propan-1-ol
PubChem CID141140000
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name3-[2-(4,5-dihydroimidazol-1-yl)ethyl-ethylamino]propan-1-ol
SMILESCCN(CCCO)CCN1C=NCC1
InChIInChI=1S/C10H21N3O/c1-2-12(5-3-9-14)7-8-13-6-4-11-10-13/h10,14H,2-9H2,1H3
InChIKeyUCSJAXFCGXKTPP-UHFFFAOYSA-N
XLogP0.03
TPSA39.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4,5-dihydroimidazol-1-yl)ethyl-ethylamino]propan-1-ol?
The IUPAC name of 3-[2-(4,5-dihydroimidazol-1-yl)ethyl-ethylamino]propan-1-ol (CID 141140000) is 3-[2-(4,5-dihydroimidazol-1-yl)ethyl-ethylamino]propan-1-ol.
What is the SMILES notation for 3-[2-(4,5-dihydroimidazol-1-yl)ethyl-ethylamino]propan-1-ol?
The canonical SMILES for 3-[2-(4,5-dihydroimidazol-1-yl)ethyl-ethylamino]propan-1-ol is CCN(CCCO)CCN1C=NCC1.
What is the InChIKey of 3-[2-(4,5-dihydroimidazol-1-yl)ethyl-ethylamino]propan-1-ol?
The InChIKey is UCSJAXFCGXKTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-2-12(5-3-9-14)7-8-13-6-4-11-10-13/h10,14H,2-9H2,1H3.
What are the key properties of 3-[2-(4,5-dihydroimidazol-1-yl)ethyl-ethylamino]propan-1-ol?
3-[2-(4,5-dihydroimidazol-1-yl)ethyl-ethylamino]propan-1-ol has a molecular weight of 199.30 g/mol, XLogP of 0.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4,5-dihydroimidazol-1-yl)ethyl-ethylamino]propan-1-ol is sourced from PubChem (CID 141140000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).