3-methyl-4-[(3-propan-2-ylimidazol-4-yl)methylamino]butan-1-ol

C12H23N3O — CID 66164185

IUPAC3-methyl-4-[(3-propan-2-ylimidazol-4-yl)methylamino]butan-1-ol
SMILESCC(CCO)CNCc1cncn1C(C)C
InChIInChI=1S/C12H23N3O/c1-10(2)15-9-14-8-12(15)7-13-6-11(3)4-5-16/h8-11,13,16H,4-7H2,1-3H3
InChIKeyFIQPWUHZBZRSRH-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.57
Rot. Bonds7

About 3-methyl-4-[(3-propan-2-ylimidazol-4-yl)methylamino]butan-1-ol

3-methyl-4-[(3-propan-2-ylimidazol-4-yl)methylamino]butan-1-ol (PubChem CID 66164185) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 3-methyl-4-[(3-propan-2-ylimidazol-4-yl)methylamino]butan-1-ol.

Molecular Properties

Compound Name3-methyl-4-[(3-propan-2-ylimidazol-4-yl)methylamino]butan-1-ol
PubChem CID66164185
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name3-methyl-4-[(3-propan-2-ylimidazol-4-yl)methylamino]butan-1-ol
SMILESCC(CCO)CNCc1cncn1C(C)C
InChIInChI=1S/C12H23N3O/c1-10(2)15-9-14-8-12(15)7-13-6-11(3)4-5-16/h8-11,13,16H,4-7H2,1-3H3
InChIKeyFIQPWUHZBZRSRH-UHFFFAOYSA-N
XLogP1.57
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(3-propan-2-ylimidazol-4-yl)methylamino]butan-1-ol?
The IUPAC name of 3-methyl-4-[(3-propan-2-ylimidazol-4-yl)methylamino]butan-1-ol (CID 66164185) is 3-methyl-4-[(3-propan-2-ylimidazol-4-yl)methylamino]butan-1-ol.
What is the SMILES notation for 3-methyl-4-[(3-propan-2-ylimidazol-4-yl)methylamino]butan-1-ol?
The canonical SMILES for 3-methyl-4-[(3-propan-2-ylimidazol-4-yl)methylamino]butan-1-ol is CC(CCO)CNCc1cncn1C(C)C.
What is the InChIKey of 3-methyl-4-[(3-propan-2-ylimidazol-4-yl)methylamino]butan-1-ol?
The InChIKey is FIQPWUHZBZRSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-10(2)15-9-14-8-12(15)7-13-6-11(3)4-5-16/h8-11,13,16H,4-7H2,1-3H3.
What are the key properties of 3-methyl-4-[(3-propan-2-ylimidazol-4-yl)methylamino]butan-1-ol?
3-methyl-4-[(3-propan-2-ylimidazol-4-yl)methylamino]butan-1-ol has a molecular weight of 225.34 g/mol, XLogP of 1.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(3-propan-2-ylimidazol-4-yl)methylamino]butan-1-ol is sourced from PubChem (CID 66164185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).