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

C13H25N3O — CID 114169219

IUPAC2-methyl-1-[(3-propan-2-ylimidazol-4-yl)methylamino]pentan-2-ol
SMILESCCCC(C)(O)CNCc1cncn1C(C)C
InChIInChI=1S/C13H25N3O/c1-5-6-13(4,17)9-14-7-12-8-15-10-16(12)11(2)3/h8,10-11,14,17H,5-7,9H2,1-4H3
InChIKeyOCLXNESUQKCGGT-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.10
Rot. Bonds7

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

2-methyl-1-[(3-propan-2-ylimidazol-4-yl)methylamino]pentan-2-ol (PubChem CID 114169219) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-methyl-1-[(3-propan-2-ylimidazol-4-yl)methylamino]pentan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[(3-propan-2-ylimidazol-4-yl)methylamino]pentan-2-ol
PubChem CID114169219
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-methyl-1-[(3-propan-2-ylimidazol-4-yl)methylamino]pentan-2-ol
SMILESCCCC(C)(O)CNCc1cncn1C(C)C
InChIInChI=1S/C13H25N3O/c1-5-6-13(4,17)9-14-7-12-8-15-10-16(12)11(2)3/h8,10-11,14,17H,5-7,9H2,1-4H3
InChIKeyOCLXNESUQKCGGT-UHFFFAOYSA-N
XLogP2.10
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-ethylimidazol-4-yl)methylamino]-2-methylpropane-1,2-diol
CID 66168390
ethyl 2-[(3-propan-2-ylimidazol-4-yl)methylamino]acetate
CID 66132120
1-[(2,5-dimethylpyrazol-3-yl)methylamino]-2-methylpentan-2-ol
CID 106293010
1-propan-2-yl-5-propylimidazole
CID 139308338
5,5,5-trifluoro-N-[(3-propan-2-ylimidazol-4-yl)methyl]pentan-1-amine
CID 113327104
3-methyl-4-[(3-propan-2-ylimidazol-4-yl)methylamino]butan-1-ol
CID 66164185
N'-[(3-propan-2-ylimidazol-4-yl)methyl]propane-1,3-diamine
CID 66132307
1-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]-2-methylpentan-2-ol
CID 114169123
N'-[(3-propan-2-ylimidazol-4-yl)methyl]butane-1,4-diamine
CID 66132309
(2R)-2-[(3-propan-2-ylimidazol-4-yl)methylamino]butan-1-ol
CID 104868842
2-[(3-propan-2-ylimidazol-4-yl)methylamino]butan-1-ol
CID 66130085
1-[[(3-propan-2-ylimidazol-4-yl)methylamino]methyl]cyclopentan-1-ol
CID 66164576

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(3-propan-2-ylimidazol-4-yl)methylamino]pentan-2-ol?
The IUPAC name of 2-methyl-1-[(3-propan-2-ylimidazol-4-yl)methylamino]pentan-2-ol (CID 114169219) is 2-methyl-1-[(3-propan-2-ylimidazol-4-yl)methylamino]pentan-2-ol.
What is the SMILES notation for 2-methyl-1-[(3-propan-2-ylimidazol-4-yl)methylamino]pentan-2-ol?
The canonical SMILES for 2-methyl-1-[(3-propan-2-ylimidazol-4-yl)methylamino]pentan-2-ol is CCCC(C)(O)CNCc1cncn1C(C)C.
What is the InChIKey of 2-methyl-1-[(3-propan-2-ylimidazol-4-yl)methylamino]pentan-2-ol?
The InChIKey is OCLXNESUQKCGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-5-6-13(4,17)9-14-7-12-8-15-10-16(12)11(2)3/h8,10-11,14,17H,5-7,9H2,1-4H3.
What are the key properties of 2-methyl-1-[(3-propan-2-ylimidazol-4-yl)methylamino]pentan-2-ol?
2-methyl-1-[(3-propan-2-ylimidazol-4-yl)methylamino]pentan-2-ol has a molecular weight of 239.36 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(3-propan-2-ylimidazol-4-yl)methylamino]pentan-2-ol is sourced from PubChem (CID 114169219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).