2-methyl-4-[(1-methylimidazol-2-yl)methylamino]butan-2-ol

C10H19N3O — CID 79354937

IUPAC2-methyl-4-[(1-methylimidazol-2-yl)methylamino]butan-2-ol
SMILESCn1ccnc1CNCCC(C)(C)O
InChIInChI=1S/C10H19N3O/c1-10(2,14)4-5-11-8-9-12-6-7-13(9)3/h6-7,11,14H,4-5,8H2,1-3H3
InChIKeyKLPXZXGBAYBNOI-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.67
Rot. Bonds5

About 2-methyl-4-[(1-methylimidazol-2-yl)methylamino]butan-2-ol

2-methyl-4-[(1-methylimidazol-2-yl)methylamino]butan-2-ol (PubChem CID 79354937) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-methyl-4-[(1-methylimidazol-2-yl)methylamino]butan-2-ol.

Molecular Properties

Compound Name2-methyl-4-[(1-methylimidazol-2-yl)methylamino]butan-2-ol
PubChem CID79354937
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name2-methyl-4-[(1-methylimidazol-2-yl)methylamino]butan-2-ol
SMILESCn1ccnc1CNCCC(C)(C)O
InChIInChI=1S/C10H19N3O/c1-10(2,14)4-5-11-8-9-12-6-7-13(9)3/h6-7,11,14H,4-5,8H2,1-3H3
InChIKeyKLPXZXGBAYBNOI-UHFFFAOYSA-N
XLogP0.67
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.67
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-1-[(1-methylimidazol-2-yl)methylamino]propan-2-ol
CID 63295776
4,4-dimethyl-6-[(1-methylimidazol-2-yl)methylamino]hexanoic acid
CID 65287582
2-[(1-methylimidazol-2-yl)methylamino]ethanol;dihydrochloride
CID 47000713
2-methyl-4-[2-(propylaminomethyl)imidazol-1-yl]butan-2-ol
CID 79355718
2,2-dimethyl-3-[(1-methylimidazol-2-yl)methylamino]propanoic acid
CID 79623973
N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-yloxyethanamine
CID 63295550
N-[(1-methylimidazol-2-yl)methyl]-2-methylsulfonylethanamine
CID 60919035
1-methoxy-4-[(1-methylimidazol-2-yl)methylamino]butan-2-ol
CID 103876204
2-methyl-4-[2-[(2-methylpropylamino)methyl]imidazol-1-yl]butan-2-ol
CID 79356035
N,N-diethyl-3-[(1-methylimidazol-2-yl)methylamino]propanamide
CID 62351352
N-[(1-methylimidazol-2-yl)methyl]-3-pyrazol-1-ylpropan-1-amine
CID 115608318
4-[2-[(1-methylimidazol-2-yl)methylamino]ethoxy]benzoic acid
CID 103251727

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(1-methylimidazol-2-yl)methylamino]butan-2-ol?
The IUPAC name of 2-methyl-4-[(1-methylimidazol-2-yl)methylamino]butan-2-ol (CID 79354937) is 2-methyl-4-[(1-methylimidazol-2-yl)methylamino]butan-2-ol.
What is the SMILES notation for 2-methyl-4-[(1-methylimidazol-2-yl)methylamino]butan-2-ol?
The canonical SMILES for 2-methyl-4-[(1-methylimidazol-2-yl)methylamino]butan-2-ol is Cn1ccnc1CNCCC(C)(C)O.
What is the InChIKey of 2-methyl-4-[(1-methylimidazol-2-yl)methylamino]butan-2-ol?
The InChIKey is KLPXZXGBAYBNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-10(2,14)4-5-11-8-9-12-6-7-13(9)3/h6-7,11,14H,4-5,8H2,1-3H3.
What are the key properties of 2-methyl-4-[(1-methylimidazol-2-yl)methylamino]butan-2-ol?
2-methyl-4-[(1-methylimidazol-2-yl)methylamino]butan-2-ol has a molecular weight of 197.28 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(1-methylimidazol-2-yl)methylamino]butan-2-ol is sourced from PubChem (CID 79354937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).