2-[(3-ethenyl-2H-imidazol-1-yl)oxy]propan-1-amine

C8H15N3O — CID 174979054

IUPAC2-[(3-ethenyl-2H-imidazol-1-yl)oxy]propan-1-amine
SMILESC=CN1C=CN(OC(C)CN)C1
InChIInChI=1S/C8H15N3O/c1-3-10-4-5-11(7-10)12-8(2)6-9/h3-5,8H,1,6-7,9H2,2H3
InChIKeyMDAXIDZLJHFQFG-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.46
Rot. Bonds4

About 2-[(3-ethenyl-2H-imidazol-1-yl)oxy]propan-1-amine

2-[(3-ethenyl-2H-imidazol-1-yl)oxy]propan-1-amine (PubChem CID 174979054) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 2-[(3-ethenyl-2H-imidazol-1-yl)oxy]propan-1-amine.

Molecular Properties

Compound Name2-[(3-ethenyl-2H-imidazol-1-yl)oxy]propan-1-amine
PubChem CID174979054
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name2-[(3-ethenyl-2H-imidazol-1-yl)oxy]propan-1-amine
SMILESC=CN1C=CN(OC(C)CN)C1
InChIInChI=1S/C8H15N3O/c1-3-10-4-5-11(7-10)12-8(2)6-9/h3-5,8H,1,6-7,9H2,2H3
InChIKeyMDAXIDZLJHFQFG-UHFFFAOYSA-N
XLogP0.46
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethenyl-2H-imidazol-1-yl)oxy]propan-1-amine?
The IUPAC name of 2-[(3-ethenyl-2H-imidazol-1-yl)oxy]propan-1-amine (CID 174979054) is 2-[(3-ethenyl-2H-imidazol-1-yl)oxy]propan-1-amine.
What is the SMILES notation for 2-[(3-ethenyl-2H-imidazol-1-yl)oxy]propan-1-amine?
The canonical SMILES for 2-[(3-ethenyl-2H-imidazol-1-yl)oxy]propan-1-amine is C=CN1C=CN(OC(C)CN)C1.
What is the InChIKey of 2-[(3-ethenyl-2H-imidazol-1-yl)oxy]propan-1-amine?
The InChIKey is MDAXIDZLJHFQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-3-10-4-5-11(7-10)12-8(2)6-9/h3-5,8H,1,6-7,9H2,2H3.
What are the key properties of 2-[(3-ethenyl-2H-imidazol-1-yl)oxy]propan-1-amine?
2-[(3-ethenyl-2H-imidazol-1-yl)oxy]propan-1-amine has a molecular weight of 169.23 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethenyl-2H-imidazol-1-yl)oxy]propan-1-amine is sourced from PubChem (CID 174979054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).