3-[(3-methylimidazol-4-yl)methoxy]propan-1-amine

C8H15N3O — CID 106938081

IUPAC3-[(3-methylimidazol-4-yl)methoxy]propan-1-amine
SMILESCn1cncc1COCCCN
InChIInChI=1S/C8H15N3O/c1-11-7-10-5-8(11)6-12-4-2-3-9/h5,7H,2-4,6,9H2,1H3
InChIKeyQNJKXTLTSWOLHM-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.29
Rot. Bonds5

About 3-[(3-methylimidazol-4-yl)methoxy]propan-1-amine

3-[(3-methylimidazol-4-yl)methoxy]propan-1-amine (PubChem CID 106938081) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 3-[(3-methylimidazol-4-yl)methoxy]propan-1-amine.

Molecular Properties

Compound Name3-[(3-methylimidazol-4-yl)methoxy]propan-1-amine
PubChem CID106938081
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name3-[(3-methylimidazol-4-yl)methoxy]propan-1-amine
SMILESCn1cncc1COCCCN
InChIInChI=1S/C8H15N3O/c1-11-7-10-5-8(11)6-12-4-2-3-9/h5,7H,2-4,6,9H2,1H3
InChIKeyQNJKXTLTSWOLHM-UHFFFAOYSA-N
XLogP0.29
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(3-methylimidazol-4-yl)methoxy]ethanamine
CID 106938056
3-[(3-propylimidazol-4-yl)methoxy]propan-1-amine
CID 106938080
3-[(3-propan-2-ylimidazol-4-yl)methoxy]propan-1-amine
CID 106938076
1-methyl-5-(propan-2-yloxymethyl)imidazole
CID 117192815
3-butoxy-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine
CID 115606778
3-(3-methylimidazol-4-yl)propan-1-ol
CID 45087839
(1R)-1-[2-[(3-methylimidazol-4-yl)methoxy]phenyl]propan-1-amine
CID 66141718
[2-[(3-methylimidazol-4-yl)methoxy]naphthalen-1-yl]methanamine
CID 66140699
[2-chloro-6-[(3-methylimidazol-4-yl)methoxy]phenyl]methanamine
CID 114318408
[3-bromo-4-[(3-methylimidazol-4-yl)methoxy]phenyl]methanamine
CID 66141104
1-methyl-5-[(3-methylazetidin-3-yl)oxymethyl]imidazole
CID 106938738
ethane;1-methyl-5-propylimidazole
CID 143528029

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylimidazol-4-yl)methoxy]propan-1-amine?
The IUPAC name of 3-[(3-methylimidazol-4-yl)methoxy]propan-1-amine (CID 106938081) is 3-[(3-methylimidazol-4-yl)methoxy]propan-1-amine.
What is the SMILES notation for 3-[(3-methylimidazol-4-yl)methoxy]propan-1-amine?
The canonical SMILES for 3-[(3-methylimidazol-4-yl)methoxy]propan-1-amine is Cn1cncc1COCCCN.
What is the InChIKey of 3-[(3-methylimidazol-4-yl)methoxy]propan-1-amine?
The InChIKey is QNJKXTLTSWOLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-11-7-10-5-8(11)6-12-4-2-3-9/h5,7H,2-4,6,9H2,1H3.
What are the key properties of 3-[(3-methylimidazol-4-yl)methoxy]propan-1-amine?
3-[(3-methylimidazol-4-yl)methoxy]propan-1-amine has a molecular weight of 169.23 g/mol, XLogP of 0.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylimidazol-4-yl)methoxy]propan-1-amine is sourced from PubChem (CID 106938081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).