4-methyl-5-[(1-methylimidazol-2-yl)methylamino]pentan-2-ol

C11H21N3O — CID 115644645

IUPAC4-methyl-5-[(1-methylimidazol-2-yl)methylamino]pentan-2-ol
SMILESCC(O)CC(C)CNCc1nccn1C
InChIInChI=1S/C11H21N3O/c1-9(6-10(2)15)7-12-8-11-13-4-5-14(11)3/h4-5,9-10,12,15H,6-8H2,1-3H3
InChIKeyHSCGRMCAGQBOJK-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.92
Rot. Bonds6

About 4-methyl-5-[(1-methylimidazol-2-yl)methylamino]pentan-2-ol

4-methyl-5-[(1-methylimidazol-2-yl)methylamino]pentan-2-ol (PubChem CID 115644645) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 4-methyl-5-[(1-methylimidazol-2-yl)methylamino]pentan-2-ol.

Molecular Properties

Compound Name4-methyl-5-[(1-methylimidazol-2-yl)methylamino]pentan-2-ol
PubChem CID115644645
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name4-methyl-5-[(1-methylimidazol-2-yl)methylamino]pentan-2-ol
SMILESCC(O)CC(C)CNCc1nccn1C
InChIInChI=1S/C11H21N3O/c1-9(6-10(2)15)7-12-8-11-13-4-5-14(11)3/h4-5,9-10,12,15H,6-8H2,1-3H3
InChIKeyHSCGRMCAGQBOJK-UHFFFAOYSA-N
XLogP0.92
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 ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butan-1-amine
CID 64570643
1,1-difluoro-3-[(1-methylimidazol-2-yl)methylamino]propan-2-ol
CID 103731677
2,2-difluoro-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 63296087
methyl 2-methyl-3-[(1-methylimidazol-2-yl)methylamino]propanoate
CID 63295782
(2R)-2-hydroxy-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 130637454
2-methyl-3-(1-methylimidazol-2-yl)-N-(2-methylpropyl)propan-1-amine
CID 64664391
N-ethyl-2-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 64666233
2-[(1-methylimidazol-2-yl)methylamino]ethanol;dihydrochloride
CID 47000713
1-[(1-methylimidazol-2-yl)methylamino]-3-(1-phenylethoxy)propan-2-ol
CID 63000890
N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-yloxyethanamine
CID 63295550
3-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(4-methylpiperazin-1-yl)butan-1-amine
CID 62350137
2-methyl-1-[(1-methylimidazol-2-yl)methylamino]propan-2-ol
CID 63295776

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[(1-methylimidazol-2-yl)methylamino]pentan-2-ol?
The IUPAC name of 4-methyl-5-[(1-methylimidazol-2-yl)methylamino]pentan-2-ol (CID 115644645) is 4-methyl-5-[(1-methylimidazol-2-yl)methylamino]pentan-2-ol.
What is the SMILES notation for 4-methyl-5-[(1-methylimidazol-2-yl)methylamino]pentan-2-ol?
The canonical SMILES for 4-methyl-5-[(1-methylimidazol-2-yl)methylamino]pentan-2-ol is CC(O)CC(C)CNCc1nccn1C.
What is the InChIKey of 4-methyl-5-[(1-methylimidazol-2-yl)methylamino]pentan-2-ol?
The InChIKey is HSCGRMCAGQBOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-9(6-10(2)15)7-12-8-11-13-4-5-14(11)3/h4-5,9-10,12,15H,6-8H2,1-3H3.
What are the key properties of 4-methyl-5-[(1-methylimidazol-2-yl)methylamino]pentan-2-ol?
4-methyl-5-[(1-methylimidazol-2-yl)methylamino]pentan-2-ol has a molecular weight of 211.31 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[(1-methylimidazol-2-yl)methylamino]pentan-2-ol is sourced from PubChem (CID 115644645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).