[3-(2-methoxypropyl)imidazol-4-yl]methanamine

C8H15N3O — CID 102701711

IUPAC[3-(2-methoxypropyl)imidazol-4-yl]methanamine
SMILESCOC(C)Cn1cncc1CN
InChIInChI=1S/C8H15N3O/c1-7(12-2)5-11-6-10-4-8(11)3-9/h4,6-7H,3,5,9H2,1-2H3
InChIKeyZZSUBNRDLYDBNT-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.38
Rot. Bonds4

About [3-(2-methoxypropyl)imidazol-4-yl]methanamine

[3-(2-methoxypropyl)imidazol-4-yl]methanamine (PubChem CID 102701711) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is [3-(2-methoxypropyl)imidazol-4-yl]methanamine.

Molecular Properties

Compound Name[3-(2-methoxypropyl)imidazol-4-yl]methanamine
PubChem CID102701711
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name[3-(2-methoxypropyl)imidazol-4-yl]methanamine
SMILESCOC(C)Cn1cncc1CN
InChIInChI=1S/C8H15N3O/c1-7(12-2)5-11-6-10-4-8(11)3-9/h4,6-7H,3,5,9H2,1-2H3
InChIKeyZZSUBNRDLYDBNT-UHFFFAOYSA-N
XLogP0.38
TPSA53.07 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 ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(2-methoxypropyl)imidazol-4-yl]methanamine?
The IUPAC name of [3-(2-methoxypropyl)imidazol-4-yl]methanamine (CID 102701711) is [3-(2-methoxypropyl)imidazol-4-yl]methanamine.
What is the SMILES notation for [3-(2-methoxypropyl)imidazol-4-yl]methanamine?
The canonical SMILES for [3-(2-methoxypropyl)imidazol-4-yl]methanamine is COC(C)Cn1cncc1CN.
What is the InChIKey of [3-(2-methoxypropyl)imidazol-4-yl]methanamine?
The InChIKey is ZZSUBNRDLYDBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-7(12-2)5-11-6-10-4-8(11)3-9/h4,6-7H,3,5,9H2,1-2H3.
What are the key properties of [3-(2-methoxypropyl)imidazol-4-yl]methanamine?
[3-(2-methoxypropyl)imidazol-4-yl]methanamine has a molecular weight of 169.23 g/mol, XLogP of 0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methoxypropyl)imidazol-4-yl]methanamine is sourced from PubChem (CID 102701711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).