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

C10H19N3O — CID 65104045

IUPAC2-methyl-1-[1-(1-methylimidazol-2-yl)ethylamino]propan-2-ol
SMILESCC(NCC(C)(C)O)c1nccn1C
InChIInChI=1S/C10H19N3O/c1-8(12-7-10(2,3)14)9-11-5-6-13(9)4/h5-6,8,12,14H,7H2,1-4H3
InChIKeyMKKGEFSLIUATIO-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.84
Rot. Bonds4

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

2-methyl-1-[1-(1-methylimidazol-2-yl)ethylamino]propan-2-ol (PubChem CID 65104045) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-methyl-1-[1-(1-methylimidazol-2-yl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[1-(1-methylimidazol-2-yl)ethylamino]propan-2-ol
PubChem CID65104045
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name2-methyl-1-[1-(1-methylimidazol-2-yl)ethylamino]propan-2-ol
SMILESCC(NCC(C)(C)O)c1nccn1C
InChIInChI=1S/C10H19N3O/c1-8(12-7-10(2,3)14)9-11-5-6-13(9)4/h5-6,8,12,14H,7H2,1-4H3
InChIKeyMKKGEFSLIUATIO-UHFFFAOYSA-N
XLogP0.84
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-[1-(1-methylimidazol-2-yl)ethylamino]propane-1,2-diol
CID 66169614
3,3-dimethyl-4-[1-(1-methylimidazol-2-yl)ethylamino]butan-1-ol
CID 115901187
2,2-difluoro-3-[1-(1-methylimidazol-2-yl)ethylamino]propan-1-ol
CID 104860530
4,4-dimethyl-1-[1-(1-methylimidazol-2-yl)ethylamino]pentan-2-ol
CID 103913976
tert-butyl N-[2-[1-(1-methylimidazol-2-yl)ethylamino]ethyl]carbamate
CID 103913862
4,4,4-trifluoro-N-[1-(1-methylimidazol-2-yl)ethyl]butan-1-amine
CID 115516455
N-(2-ethylsulfonylethyl)-1-(1-methylimidazol-2-yl)ethanamine
CID 103913887
2-methyl-1-[(1-methylimidazol-2-yl)amino]propan-2-ol
CID 65108978
5-[1-(1-methylimidazol-2-yl)ethylamino]pentanamide
CID 106234642
2,2-dimethyl-1-(1-methylimidazol-2-yl)butan-1-ol
CID 115799884
tert-butyl N-methyl-N-[2-[1-(1-methylimidazol-2-yl)ethylamino]ethyl]carbamate
CID 103913871
N-[1-(1-methylimidazol-2-yl)ethyl]-3-methylsulfinylbutan-1-amine
CID 115901512

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[1-(1-methylimidazol-2-yl)ethylamino]propan-2-ol?
The IUPAC name of 2-methyl-1-[1-(1-methylimidazol-2-yl)ethylamino]propan-2-ol (CID 65104045) is 2-methyl-1-[1-(1-methylimidazol-2-yl)ethylamino]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[1-(1-methylimidazol-2-yl)ethylamino]propan-2-ol?
The canonical SMILES for 2-methyl-1-[1-(1-methylimidazol-2-yl)ethylamino]propan-2-ol is CC(NCC(C)(C)O)c1nccn1C.
What is the InChIKey of 2-methyl-1-[1-(1-methylimidazol-2-yl)ethylamino]propan-2-ol?
The InChIKey is MKKGEFSLIUATIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-8(12-7-10(2,3)14)9-11-5-6-13(9)4/h5-6,8,12,14H,7H2,1-4H3.
What are the key properties of 2-methyl-1-[1-(1-methylimidazol-2-yl)ethylamino]propan-2-ol?
2-methyl-1-[1-(1-methylimidazol-2-yl)ethylamino]propan-2-ol has a molecular weight of 197.28 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[1-(1-methylimidazol-2-yl)ethylamino]propan-2-ol is sourced from PubChem (CID 65104045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).