[3-(4-propan-2-yloxybutyl)imidazol-4-yl]methanamine

C11H21N3O — CID 106009318

IUPAC[3-(4-propan-2-yloxybutyl)imidazol-4-yl]methanamine
SMILESCC(C)OCCCCn1cncc1CN
InChIInChI=1S/C11H21N3O/c1-10(2)15-6-4-3-5-14-9-13-8-11(14)7-12/h8-10H,3-7,12H2,1-2H3
InChIKeyOZQQFKZKLOCDDK-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.55
Rot. Bonds7

About [3-(4-propan-2-yloxybutyl)imidazol-4-yl]methanamine

[3-(4-propan-2-yloxybutyl)imidazol-4-yl]methanamine (PubChem CID 106009318) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is [3-(4-propan-2-yloxybutyl)imidazol-4-yl]methanamine.

Molecular Properties

Compound Name[3-(4-propan-2-yloxybutyl)imidazol-4-yl]methanamine
PubChem CID106009318
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name[3-(4-propan-2-yloxybutyl)imidazol-4-yl]methanamine
SMILESCC(C)OCCCCn1cncc1CN
InChIInChI=1S/C11H21N3O/c1-10(2)15-6-4-3-5-14-9-13-8-11(14)7-12/h8-10H,3-7,12H2,1-2H3
InChIKeyOZQQFKZKLOCDDK-UHFFFAOYSA-N
XLogP1.55
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 ≤ 51.55
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 [3-(4-propan-2-yloxybutyl)imidazol-4-yl]methanamine?
The IUPAC name of [3-(4-propan-2-yloxybutyl)imidazol-4-yl]methanamine (CID 106009318) is [3-(4-propan-2-yloxybutyl)imidazol-4-yl]methanamine.
What is the SMILES notation for [3-(4-propan-2-yloxybutyl)imidazol-4-yl]methanamine?
The canonical SMILES for [3-(4-propan-2-yloxybutyl)imidazol-4-yl]methanamine is CC(C)OCCCCn1cncc1CN.
What is the InChIKey of [3-(4-propan-2-yloxybutyl)imidazol-4-yl]methanamine?
The InChIKey is OZQQFKZKLOCDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-10(2)15-6-4-3-5-14-9-13-8-11(14)7-12/h8-10H,3-7,12H2,1-2H3.
What are the key properties of [3-(4-propan-2-yloxybutyl)imidazol-4-yl]methanamine?
[3-(4-propan-2-yloxybutyl)imidazol-4-yl]methanamine has a molecular weight of 211.31 g/mol, XLogP of 1.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-propan-2-yloxybutyl)imidazol-4-yl]methanamine is sourced from PubChem (CID 106009318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).