4-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]butan-2-ol

C11H22N4O — CID 64912386

IUPAC4-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]butan-2-ol
SMILESCC(O)CCNCc1cnc(N(C)C)n1C
InChIInChI=1S/C11H22N4O/c1-9(16)5-6-12-7-10-8-13-11(14(2)3)15(10)4/h8-9,12,16H,5-7H2,1-4H3
InChIKeyWRKLXKOQCCAWCC-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.35
Rot. Bonds6

About 4-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]butan-2-ol

4-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]butan-2-ol (PubChem CID 64912386) has the molecular formula C11H22N4O and a molecular weight of 226.32 g/mol. Its IUPAC name is 4-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]butan-2-ol.

Molecular Properties

Compound Name4-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]butan-2-ol
PubChem CID64912386
Molecular FormulaC11H22N4O
Molecular Weight226.32 g/mol
Exact Mass226.18
IUPAC Name4-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]butan-2-ol
SMILESCC(O)CCNCc1cnc(N(C)C)n1C
InChIInChI=1S/C11H22N4O/c1-9(16)5-6-12-7-10-8-13-11(14(2)3)15(10)4/h8-9,12,16H,5-7H2,1-4H3
InChIKeyWRKLXKOQCCAWCC-UHFFFAOYSA-N
XLogP0.35
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 4-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]butan-2-ol?
The IUPAC name of 4-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]butan-2-ol (CID 64912386) is 4-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]butan-2-ol.
What is the SMILES notation for 4-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]butan-2-ol?
The canonical SMILES for 4-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]butan-2-ol is CC(O)CCNCc1cnc(N(C)C)n1C.
What is the InChIKey of 4-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]butan-2-ol?
The InChIKey is WRKLXKOQCCAWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O/c1-9(16)5-6-12-7-10-8-13-11(14(2)3)15(10)4/h8-9,12,16H,5-7H2,1-4H3.
What are the key properties of 4-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]butan-2-ol?
4-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]butan-2-ol has a molecular weight of 226.32 g/mol, XLogP of 0.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]butan-2-ol is sourced from PubChem (CID 64912386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).