2-methyl-4-[2-(propylaminomethyl)imidazol-1-yl]butan-2-ol

C12H23N3O — CID 79355718

IUPAC2-methyl-4-[2-(propylaminomethyl)imidazol-1-yl]butan-2-ol
SMILESCCCNCc1nccn1CCC(C)(C)O
InChIInChI=1S/C12H23N3O/c1-4-6-13-10-11-14-7-9-15(11)8-5-12(2,3)16/h7,9,13,16H,4-6,8,10H2,1-3H3
InChIKeyPRYBOAOGBFTITB-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.54
Rot. Bonds7

About 2-methyl-4-[2-(propylaminomethyl)imidazol-1-yl]butan-2-ol

2-methyl-4-[2-(propylaminomethyl)imidazol-1-yl]butan-2-ol (PubChem CID 79355718) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-methyl-4-[2-(propylaminomethyl)imidazol-1-yl]butan-2-ol.

Molecular Properties

Compound Name2-methyl-4-[2-(propylaminomethyl)imidazol-1-yl]butan-2-ol
PubChem CID79355718
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2-methyl-4-[2-(propylaminomethyl)imidazol-1-yl]butan-2-ol
SMILESCCCNCc1nccn1CCC(C)(C)O
InChIInChI=1S/C12H23N3O/c1-4-6-13-10-11-14-7-9-15(11)8-5-12(2,3)16/h7,9,13,16H,4-6,8,10H2,1-3H3
InChIKeyPRYBOAOGBFTITB-UHFFFAOYSA-N
XLogP1.54
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 ≤ 51.54
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

2-methyl-4-[2-[(2-methylpropylamino)methyl]imidazol-1-yl]butan-2-ol
CID 79356035
N-[(1-ethylimidazol-2-yl)methyl]propan-1-amine
CID 46784352
N-[[1-(2-tert-butylsulfonylethyl)imidazol-2-yl]methyl]propan-1-amine
CID 106717653
N-[(1-hexylimidazol-2-yl)methyl]propan-1-amine
CID 62221809
N-[(1-decylimidazol-2-yl)methyl]propan-1-amine
CID 63409141
2-methyl-4-[(1-methylimidazol-2-yl)methylamino]butan-2-ol
CID 79354937
N-[[1-[2-(diethylamino)ethyl]imidazol-2-yl]methyl]propan-1-amine
CID 62223037
2-methyl-1-(propylamino)-3-(1-propylimidazol-2-yl)propan-2-ol
CID 79760722
N-[[1-(2-imidazol-1-ylethyl)imidazol-2-yl]methyl]propan-1-amine
CID 62223213
N-[[1-(2-morpholin-4-ylethyl)imidazol-2-yl]methyl]propan-1-amine
CID 55048615
N'-[(1-propylimidazol-2-yl)methyl]ethane-1,2-diamine
CID 62957721
5,5,5-trifluoro-N-[(1-propylimidazol-2-yl)methyl]pentan-1-amine
CID 113327188

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[2-(propylaminomethyl)imidazol-1-yl]butan-2-ol?
The IUPAC name of 2-methyl-4-[2-(propylaminomethyl)imidazol-1-yl]butan-2-ol (CID 79355718) is 2-methyl-4-[2-(propylaminomethyl)imidazol-1-yl]butan-2-ol.
What is the SMILES notation for 2-methyl-4-[2-(propylaminomethyl)imidazol-1-yl]butan-2-ol?
The canonical SMILES for 2-methyl-4-[2-(propylaminomethyl)imidazol-1-yl]butan-2-ol is CCCNCc1nccn1CCC(C)(C)O.
What is the InChIKey of 2-methyl-4-[2-(propylaminomethyl)imidazol-1-yl]butan-2-ol?
The InChIKey is PRYBOAOGBFTITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-4-6-13-10-11-14-7-9-15(11)8-5-12(2,3)16/h7,9,13,16H,4-6,8,10H2,1-3H3.
What are the key properties of 2-methyl-4-[2-(propylaminomethyl)imidazol-1-yl]butan-2-ol?
2-methyl-4-[2-(propylaminomethyl)imidazol-1-yl]butan-2-ol has a molecular weight of 225.34 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[2-(propylaminomethyl)imidazol-1-yl]butan-2-ol is sourced from PubChem (CID 79355718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).