2-methyl-1-(propylamino)-3-(1-propylimidazol-2-yl)propan-2-ol

C13H25N3O — CID 79760722

IUPAC2-methyl-1-(propylamino)-3-(1-propylimidazol-2-yl)propan-2-ol
SMILESCCCNCC(C)(O)Cc1nccn1CCC
InChIInChI=1S/C13H25N3O/c1-4-6-14-11-13(3,17)10-12-15-7-9-16(12)8-5-2/h7,9,14,17H,4-6,8,10-11H2,1-3H3
InChIKeyWSIKBLBZZVACRI-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.59
Rot. Bonds8

About 2-methyl-1-(propylamino)-3-(1-propylimidazol-2-yl)propan-2-ol

2-methyl-1-(propylamino)-3-(1-propylimidazol-2-yl)propan-2-ol (PubChem CID 79760722) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-methyl-1-(propylamino)-3-(1-propylimidazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(propylamino)-3-(1-propylimidazol-2-yl)propan-2-ol
PubChem CID79760722
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-methyl-1-(propylamino)-3-(1-propylimidazol-2-yl)propan-2-ol
SMILESCCCNCC(C)(O)Cc1nccn1CCC
InChIInChI=1S/C13H25N3O/c1-4-6-14-11-13(3,17)10-12-15-7-9-16(12)8-5-2/h7,9,14,17H,4-6,8,10-11H2,1-3H3
InChIKeyWSIKBLBZZVACRI-UHFFFAOYSA-N
XLogP1.59
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(tert-butylamino)-2-methyl-1-(1-propylimidazol-2-yl)butan-2-ol
CID 79761465
1-methoxy-2-methyl-3-(1-propylimidazol-2-yl)propan-2-ol
CID 79744860
6,6,6-trifluoro-2-methyl-1-(1-propylimidazol-2-yl)hexan-2-ol
CID 116535799
2-methyl-4-[2-(propylaminomethyl)imidazol-1-yl]butan-2-ol
CID 79355718
2-phenyl-1-(1-propylimidazol-2-yl)propan-2-ol
CID 79744122
3-methoxy-2,3-dimethyl-1-(1-propylimidazol-2-yl)butan-2-ol
CID 114228321
4-(ethylamino)-1-(1-ethylimidazol-2-yl)-2-methylbutan-2-ol
CID 79760958
1-(propylamino)-3-(1-propylimidazol-2-yl)propan-2-ol
CID 79761462
2-(3,4-dimethylphenyl)-1-(1-propylimidazol-2-yl)propan-2-ol
CID 79744402
2-(2,5-dimethylphenyl)-1-(1-propylimidazol-2-yl)propan-2-ol
CID 79744677
2,2-dimethyl-N-propyl-3-(2-propylimidazol-1-yl)propan-1-amine
CID 79621146
2-methyl-1-[2-(1-methylimidazol-2-yl)ethylamino]butan-2-ol
CID 114493001

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(propylamino)-3-(1-propylimidazol-2-yl)propan-2-ol?
The IUPAC name of 2-methyl-1-(propylamino)-3-(1-propylimidazol-2-yl)propan-2-ol (CID 79760722) is 2-methyl-1-(propylamino)-3-(1-propylimidazol-2-yl)propan-2-ol.
What is the SMILES notation for 2-methyl-1-(propylamino)-3-(1-propylimidazol-2-yl)propan-2-ol?
The canonical SMILES for 2-methyl-1-(propylamino)-3-(1-propylimidazol-2-yl)propan-2-ol is CCCNCC(C)(O)Cc1nccn1CCC.
What is the InChIKey of 2-methyl-1-(propylamino)-3-(1-propylimidazol-2-yl)propan-2-ol?
The InChIKey is WSIKBLBZZVACRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-4-6-14-11-13(3,17)10-12-15-7-9-16(12)8-5-2/h7,9,14,17H,4-6,8,10-11H2,1-3H3.
What are the key properties of 2-methyl-1-(propylamino)-3-(1-propylimidazol-2-yl)propan-2-ol?
2-methyl-1-(propylamino)-3-(1-propylimidazol-2-yl)propan-2-ol has a molecular weight of 239.36 g/mol, XLogP of 1.59, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(propylamino)-3-(1-propylimidazol-2-yl)propan-2-ol is sourced from PubChem (CID 79760722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).