1-[[1-(2-methylpropyl)imidazol-4-yl]methoxy]ethanamine

C10H19N3O — CID 174495106

IUPAC1-[[1-(2-methylpropyl)imidazol-4-yl]methoxy]ethanamine
SMILESCC(C)Cn1cnc(COC(C)N)c1
InChIInChI=1S/C10H19N3O/c1-8(2)4-13-5-10(12-7-13)6-14-9(3)11/h5,7-9H,4,6,11H2,1-3H3
InChIKeyHMFLRSBVTYQRIO-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.36
Rot. Bonds5

About 1-[[1-(2-methylpropyl)imidazol-4-yl]methoxy]ethanamine

1-[[1-(2-methylpropyl)imidazol-4-yl]methoxy]ethanamine (PubChem CID 174495106) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-[[1-(2-methylpropyl)imidazol-4-yl]methoxy]ethanamine.

Molecular Properties

Compound Name1-[[1-(2-methylpropyl)imidazol-4-yl]methoxy]ethanamine
PubChem CID174495106
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name1-[[1-(2-methylpropyl)imidazol-4-yl]methoxy]ethanamine
SMILESCC(C)Cn1cnc(COC(C)N)c1
InChIInChI=1S/C10H19N3O/c1-8(2)4-13-5-10(12-7-13)6-14-9(3)11/h5,7-9H,4,6,11H2,1-3H3
InChIKeyHMFLRSBVTYQRIO-UHFFFAOYSA-N
XLogP1.36
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-methylpropyl)imidazol-4-yl]methoxy]ethanamine?
The IUPAC name of 1-[[1-(2-methylpropyl)imidazol-4-yl]methoxy]ethanamine (CID 174495106) is 1-[[1-(2-methylpropyl)imidazol-4-yl]methoxy]ethanamine.
What is the SMILES notation for 1-[[1-(2-methylpropyl)imidazol-4-yl]methoxy]ethanamine?
The canonical SMILES for 1-[[1-(2-methylpropyl)imidazol-4-yl]methoxy]ethanamine is CC(C)Cn1cnc(COC(C)N)c1.
What is the InChIKey of 1-[[1-(2-methylpropyl)imidazol-4-yl]methoxy]ethanamine?
The InChIKey is HMFLRSBVTYQRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-8(2)4-13-5-10(12-7-13)6-14-9(3)11/h5,7-9H,4,6,11H2,1-3H3.
What are the key properties of 1-[[1-(2-methylpropyl)imidazol-4-yl]methoxy]ethanamine?
1-[[1-(2-methylpropyl)imidazol-4-yl]methoxy]ethanamine has a molecular weight of 197.28 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-methylpropyl)imidazol-4-yl]methoxy]ethanamine is sourced from PubChem (CID 174495106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).