2-[(3-ethylimidazol-4-yl)methylamino]propan-1-ol

C9H17N3O — CID 66135627

IUPAC2-[(3-ethylimidazol-4-yl)methylamino]propan-1-ol
SMILESCCn1cncc1CNC(C)CO
InChIInChI=1S/C9H17N3O/c1-3-12-7-10-4-9(12)5-11-8(2)6-13/h4,7-8,11,13H,3,5-6H2,1-2H3
InChIKeyCZDBSBAFIJYCDB-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.37
Rot. Bonds5

About 2-[(3-ethylimidazol-4-yl)methylamino]propan-1-ol

2-[(3-ethylimidazol-4-yl)methylamino]propan-1-ol (PubChem CID 66135627) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-[(3-ethylimidazol-4-yl)methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[(3-ethylimidazol-4-yl)methylamino]propan-1-ol
PubChem CID66135627
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name2-[(3-ethylimidazol-4-yl)methylamino]propan-1-ol
SMILESCCn1cncc1CNC(C)CO
InChIInChI=1S/C9H17N3O/c1-3-12-7-10-4-9(12)5-11-8(2)6-13/h4,7-8,11,13H,3,5-6H2,1-2H3
InChIKeyCZDBSBAFIJYCDB-UHFFFAOYSA-N
XLogP0.37
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 ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-ethylimidazol-4-yl)methyl]propan-2-amine
CID 66118230
2-[(3-methylimidazol-4-yl)methylamino]propan-1-ol
CID 66117228
1-N,1-N-diethyl-4-N-[(3-ethylimidazol-4-yl)methyl]pentane-1,4-diamine
CID 66117372
3-[(3-ethylimidazol-4-yl)methylamino]-4,4-dimethylpentan-1-ol
CID 106348886
tert-butyl N-[2-[(3-ethylimidazol-4-yl)methylamino]propyl]carbamate
CID 107248116
1-(2-chlorophenyl)-N-[(3-ethylimidazol-4-yl)methyl]propan-2-amine
CID 66135228
N-[(3-ethylimidazol-4-yl)methyl]-1-methoxybutan-2-amine
CID 66132621
5-methyl-N-[(3-propylimidazol-4-yl)methyl]hexan-2-amine
CID 66133962
N-[(3-ethylimidazol-4-yl)methyl]-1-thiophen-2-ylethanamine
CID 66133359
N-[(3-ethylimidazol-4-yl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 66244272
4-methyl-3-[(3-propylimidazol-4-yl)methylamino]pentan-1-ol
CID 106348786
N-[(3-ethylimidazol-4-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 66133152

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethylimidazol-4-yl)methylamino]propan-1-ol?
The IUPAC name of 2-[(3-ethylimidazol-4-yl)methylamino]propan-1-ol (CID 66135627) is 2-[(3-ethylimidazol-4-yl)methylamino]propan-1-ol.
What is the SMILES notation for 2-[(3-ethylimidazol-4-yl)methylamino]propan-1-ol?
The canonical SMILES for 2-[(3-ethylimidazol-4-yl)methylamino]propan-1-ol is CCn1cncc1CNC(C)CO.
What is the InChIKey of 2-[(3-ethylimidazol-4-yl)methylamino]propan-1-ol?
The InChIKey is CZDBSBAFIJYCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-3-12-7-10-4-9(12)5-11-8(2)6-13/h4,7-8,11,13H,3,5-6H2,1-2H3.
What are the key properties of 2-[(3-ethylimidazol-4-yl)methylamino]propan-1-ol?
2-[(3-ethylimidazol-4-yl)methylamino]propan-1-ol has a molecular weight of 183.25 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethylimidazol-4-yl)methylamino]propan-1-ol is sourced from PubChem (CID 66135627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).