(1R)-1-[3-(2-butoxyethyl)imidazol-4-yl]ethanamine

C11H21N3O — CID 104942754

IUPAC(1R)-1-[3-(2-butoxyethyl)imidazol-4-yl]ethanamine
SMILESCCCCOCCn1cncc1[C@@H](C)N
InChIInChI=1S/C11H21N3O/c1-3-4-6-15-7-5-14-9-13-8-11(14)10(2)12/h8-10H,3-7,12H2,1-2H3/t10-/m1/s1
InChIKeyKCVDFLHIBGFLOU-SNVBAGLBSA-N
MW211.31 g/mol
LogP1.72
Rot. Bonds7

About (1R)-1-[3-(2-butoxyethyl)imidazol-4-yl]ethanamine

(1R)-1-[3-(2-butoxyethyl)imidazol-4-yl]ethanamine (PubChem CID 104942754) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is (1R)-1-[3-(2-butoxyethyl)imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[3-(2-butoxyethyl)imidazol-4-yl]ethanamine
PubChem CID104942754
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name(1R)-1-[3-(2-butoxyethyl)imidazol-4-yl]ethanamine
SMILESCCCCOCCn1cncc1[C@@H](C)N
InChIInChI=1S/C11H21N3O/c1-3-4-6-15-7-5-14-9-13-8-11(14)10(2)12/h8-10H,3-7,12H2,1-2H3/t10-/m1/s1
InChIKeyKCVDFLHIBGFLOU-SNVBAGLBSA-N
XLogP1.72
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.72
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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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(2-butoxyethyl)imidazol-4-yl]ethanamine?
The IUPAC name of (1R)-1-[3-(2-butoxyethyl)imidazol-4-yl]ethanamine (CID 104942754) is (1R)-1-[3-(2-butoxyethyl)imidazol-4-yl]ethanamine.
What is the SMILES notation for (1R)-1-[3-(2-butoxyethyl)imidazol-4-yl]ethanamine?
The canonical SMILES for (1R)-1-[3-(2-butoxyethyl)imidazol-4-yl]ethanamine is CCCCOCCn1cncc1[C@@H](C)N.
What is the InChIKey of (1R)-1-[3-(2-butoxyethyl)imidazol-4-yl]ethanamine?
The InChIKey is KCVDFLHIBGFLOU-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H21N3O/c1-3-4-6-15-7-5-14-9-13-8-11(14)10(2)12/h8-10H,3-7,12H2,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-1-[3-(2-butoxyethyl)imidazol-4-yl]ethanamine?
(1R)-1-[3-(2-butoxyethyl)imidazol-4-yl]ethanamine has a molecular weight of 211.31 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-(2-butoxyethyl)imidazol-4-yl]ethanamine is sourced from PubChem (CID 104942754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).