N-ethyl-1-(oxolan-3-yl)imidazol-2-amine

C9H15N3O — CID 106577306

IUPACN-ethyl-1-(oxolan-3-yl)imidazol-2-amine
SMILESCCNc1nccn1C1CCOC1
InChIInChI=1S/C9H15N3O/c1-2-10-9-11-4-5-12(9)8-3-6-13-7-8/h4-5,8H,2-3,6-7H2,1H3,(H,10,11)
InChIKeyJAWUZOZIMITTKG-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.28
Rot. Bonds3

About N-ethyl-1-(oxolan-3-yl)imidazol-2-amine

N-ethyl-1-(oxolan-3-yl)imidazol-2-amine (PubChem CID 106577306) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is N-ethyl-1-(oxolan-3-yl)imidazol-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(oxolan-3-yl)imidazol-2-amine
PubChem CID106577306
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC NameN-ethyl-1-(oxolan-3-yl)imidazol-2-amine
SMILESCCNc1nccn1C1CCOC1
InChIInChI=1S/C9H15N3O/c1-2-10-9-11-4-5-12(9)8-3-6-13-7-8/h4-5,8H,2-3,6-7H2,1H3,(H,10,11)
InChIKeyJAWUZOZIMITTKG-UHFFFAOYSA-N
XLogP1.28
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-(oxan-3-yl)imidazol-2-amine
CID 106573282
N-ethyl-4-methyl-1-(oxolan-3-yl)imidazol-2-amine
CID 106577274
1-(oxan-4-yl)-N-prop-2-enylimidazol-2-amine
CID 106562639
1-cyclopropyl-N-propylimidazol-2-amine
CID 106554744
1-(1-azabicyclo[2.2.2]octan-3-yl)-N-ethylimidazol-2-amine
CID 106559040
N-butyl-1-cyclobutylimidazol-2-amine
CID 106571396
1-(2,2-dimethyloxan-4-yl)-N-(3-ethoxypropyl)imidazol-2-amine
CID 106578750
1-[1-(oxolan-3-yl)ethyl]-N-propylimidazol-2-amine
CID 106582648
1-cyclopropyl-N-(2-methylsulfinylethyl)imidazol-2-amine
CID 106581393
N-propyl-1-(thian-4-yl)imidazol-2-amine
CID 106582155
1-methyl-N-(oxolan-3-ylmethyl)imidazol-2-amine
CID 62133287
1-cyclopentyl-N-(oxan-3-yl)imidazol-2-amine
CID 106573279

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(oxolan-3-yl)imidazol-2-amine?
The IUPAC name of N-ethyl-1-(oxolan-3-yl)imidazol-2-amine (CID 106577306) is N-ethyl-1-(oxolan-3-yl)imidazol-2-amine.
What is the SMILES notation for N-ethyl-1-(oxolan-3-yl)imidazol-2-amine?
The canonical SMILES for N-ethyl-1-(oxolan-3-yl)imidazol-2-amine is CCNc1nccn1C1CCOC1.
What is the InChIKey of N-ethyl-1-(oxolan-3-yl)imidazol-2-amine?
The InChIKey is JAWUZOZIMITTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-2-10-9-11-4-5-12(9)8-3-6-13-7-8/h4-5,8H,2-3,6-7H2,1H3,(H,10,11).
What are the key properties of N-ethyl-1-(oxolan-3-yl)imidazol-2-amine?
N-ethyl-1-(oxolan-3-yl)imidazol-2-amine has a molecular weight of 181.24 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(oxolan-3-yl)imidazol-2-amine is sourced from PubChem (CID 106577306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).