2-methyl-1-[2-(1-methylimidazol-2-yl)ethylamino]butan-2-ol

C11H21N3O — CID 114493001

IUPAC2-methyl-1-[2-(1-methylimidazol-2-yl)ethylamino]butan-2-ol
SMILESCCC(C)(O)CNCCc1nccn1C
InChIInChI=1S/C11H21N3O/c1-4-11(2,15)9-12-6-5-10-13-7-8-14(10)3/h7-8,12,15H,4-6,9H2,1-3H3
InChIKeyPBAIFTVKORSAPY-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.71
Rot. Bonds6

About 2-methyl-1-[2-(1-methylimidazol-2-yl)ethylamino]butan-2-ol

2-methyl-1-[2-(1-methylimidazol-2-yl)ethylamino]butan-2-ol (PubChem CID 114493001) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-methyl-1-[2-(1-methylimidazol-2-yl)ethylamino]butan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[2-(1-methylimidazol-2-yl)ethylamino]butan-2-ol
PubChem CID114493001
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2-methyl-1-[2-(1-methylimidazol-2-yl)ethylamino]butan-2-ol
SMILESCCC(C)(O)CNCCc1nccn1C
InChIInChI=1S/C11H21N3O/c1-4-11(2,15)9-12-6-5-10-13-7-8-14(10)3/h7-8,12,15H,4-6,9H2,1-3H3
InChIKeyPBAIFTVKORSAPY-UHFFFAOYSA-N
XLogP0.71
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.71
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

3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pentan-3-amine
CID 106328740
N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 61214414
N'-tert-butyl-N-[2-(1-methylimidazol-2-yl)ethyl]ethane-1,2-diamine
CID 107445440
N-[2-(1-methylimidazol-2-yl)ethyl]pentan-1-amine
CID 61214559
3,3,3-trifluoro-N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 64554814
2-methyl-1-[(1-methylimidazol-2-yl)methylamino]propan-2-ol
CID 63295776
N-(2-tert-butylsulfonylethyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 106723544
2-methyl-1-(propylamino)-3-(1-propylimidazol-2-yl)propan-2-ol
CID 79760722
1-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]cyclopentan-1-ol
CID 65210949
1,1-dimethyl-2-[2-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 114527728
4-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527491
1-chloro-3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pentan-3-amine
CID 106167285

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(1-methylimidazol-2-yl)ethylamino]butan-2-ol?
The IUPAC name of 2-methyl-1-[2-(1-methylimidazol-2-yl)ethylamino]butan-2-ol (CID 114493001) is 2-methyl-1-[2-(1-methylimidazol-2-yl)ethylamino]butan-2-ol.
What is the SMILES notation for 2-methyl-1-[2-(1-methylimidazol-2-yl)ethylamino]butan-2-ol?
The canonical SMILES for 2-methyl-1-[2-(1-methylimidazol-2-yl)ethylamino]butan-2-ol is CCC(C)(O)CNCCc1nccn1C.
What is the InChIKey of 2-methyl-1-[2-(1-methylimidazol-2-yl)ethylamino]butan-2-ol?
The InChIKey is PBAIFTVKORSAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-4-11(2,15)9-12-6-5-10-13-7-8-14(10)3/h7-8,12,15H,4-6,9H2,1-3H3.
What are the key properties of 2-methyl-1-[2-(1-methylimidazol-2-yl)ethylamino]butan-2-ol?
2-methyl-1-[2-(1-methylimidazol-2-yl)ethylamino]butan-2-ol has a molecular weight of 211.31 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(1-methylimidazol-2-yl)ethylamino]butan-2-ol is sourced from PubChem (CID 114493001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).