3-[(3-propan-2-ylimidazol-4-yl)methoxy]propan-1-amine

C10H19N3O — CID 106938076

IUPAC3-[(3-propan-2-ylimidazol-4-yl)methoxy]propan-1-amine
SMILESCC(C)n1cncc1COCCCN
InChIInChI=1S/C10H19N3O/c1-9(2)13-8-12-6-10(13)7-14-5-3-4-11/h6,8-9H,3-5,7,11H2,1-2H3
InChIKeyGDZBNEGSHPYPCX-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.33
Rot. Bonds6

About 3-[(3-propan-2-ylimidazol-4-yl)methoxy]propan-1-amine

3-[(3-propan-2-ylimidazol-4-yl)methoxy]propan-1-amine (PubChem CID 106938076) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 3-[(3-propan-2-ylimidazol-4-yl)methoxy]propan-1-amine.

Molecular Properties

Compound Name3-[(3-propan-2-ylimidazol-4-yl)methoxy]propan-1-amine
PubChem CID106938076
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name3-[(3-propan-2-ylimidazol-4-yl)methoxy]propan-1-amine
SMILESCC(C)n1cncc1COCCCN
InChIInChI=1S/C10H19N3O/c1-9(2)13-8-12-6-10(13)7-14-5-3-4-11/h6,8-9H,3-5,7,11H2,1-2H3
InChIKeyGDZBNEGSHPYPCX-UHFFFAOYSA-N
XLogP1.33
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.33
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

3-[(3-methylimidazol-4-yl)methoxy]propan-1-amine
CID 106938081
3-[(3-propylimidazol-4-yl)methoxy]propan-1-amine
CID 106938080
N'-[(3-propan-2-ylimidazol-4-yl)methyl]propane-1,3-diamine
CID 66132307
N'-[(3-propan-2-ylimidazol-4-yl)methyl]butane-1,4-diamine
CID 66132309
2-[(3-methylimidazol-4-yl)methoxy]ethanamine
CID 106938056
2-methyl-6-[(3-propan-2-ylimidazol-4-yl)methoxymethyl]morpholine
CID 106939156
1-propan-2-yl-5-propylimidazole
CID 139308338
(1S)-1-[4-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanamine
CID 66153632
[6-methyl-3-[(3-propan-2-ylimidazol-4-yl)methoxy]-2-pyridinyl]methanamine
CID 79151176
5-(2,3-dimethylbutyl)-1-propan-2-ylimidazole
CID 59650396
5-[(2-chlorophenoxy)methyl]-1-propan-2-ylimidazole
CID 66154438
2-(3-propan-2-ylimidazol-4-yl)acetonitrile
CID 84763142

Frequently Asked Questions

What is the IUPAC name of 3-[(3-propan-2-ylimidazol-4-yl)methoxy]propan-1-amine?
The IUPAC name of 3-[(3-propan-2-ylimidazol-4-yl)methoxy]propan-1-amine (CID 106938076) is 3-[(3-propan-2-ylimidazol-4-yl)methoxy]propan-1-amine.
What is the SMILES notation for 3-[(3-propan-2-ylimidazol-4-yl)methoxy]propan-1-amine?
The canonical SMILES for 3-[(3-propan-2-ylimidazol-4-yl)methoxy]propan-1-amine is CC(C)n1cncc1COCCCN.
What is the InChIKey of 3-[(3-propan-2-ylimidazol-4-yl)methoxy]propan-1-amine?
The InChIKey is GDZBNEGSHPYPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-9(2)13-8-12-6-10(13)7-14-5-3-4-11/h6,8-9H,3-5,7,11H2,1-2H3.
What are the key properties of 3-[(3-propan-2-ylimidazol-4-yl)methoxy]propan-1-amine?
3-[(3-propan-2-ylimidazol-4-yl)methoxy]propan-1-amine has a molecular weight of 197.28 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-propan-2-ylimidazol-4-yl)methoxy]propan-1-amine is sourced from PubChem (CID 106938076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).