2-butoxy-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine

C11H21N3O — CID 62741945

IUPAC2-butoxy-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine
SMILESCCCCOCCNCc1nc[nH]c1C
InChIInChI=1S/C11H21N3O/c1-3-4-6-15-7-5-12-8-11-10(2)13-9-14-11/h9,12H,3-8H2,1-2H3,(H,13,14)
InChIKeyGTZRMNQHKVESKO-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.62
Rot. Bonds8

About 2-butoxy-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine

2-butoxy-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine (PubChem CID 62741945) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-butoxy-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-butoxy-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine
PubChem CID62741945
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2-butoxy-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine
SMILESCCCCOCCNCc1nc[nH]c1C
InChIInChI=1S/C11H21N3O/c1-3-4-6-15-7-5-12-8-11-10(2)13-9-14-11/h9,12H,3-8H2,1-2H3,(H,13,14)
InChIKeyGTZRMNQHKVESKO-UHFFFAOYSA-N
XLogP1.62
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-butoxy-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine?
The IUPAC name of 2-butoxy-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine (CID 62741945) is 2-butoxy-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 2-butoxy-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine?
The canonical SMILES for 2-butoxy-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine is CCCCOCCNCc1nc[nH]c1C.
What is the InChIKey of 2-butoxy-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine?
The InChIKey is GTZRMNQHKVESKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-3-4-6-15-7-5-12-8-11-10(2)13-9-14-11/h9,12H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 2-butoxy-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine?
2-butoxy-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine has a molecular weight of 211.31 g/mol, XLogP of 1.62, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 62741945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).