2-methoxy-2-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]propan-1-amine

C11H21N3O — CID 104760515

IUPAC2-methoxy-2-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]propan-1-amine
SMILESCOC(C)(C)CNCCn1ccnc1C
InChIInChI=1S/C11H21N3O/c1-10-13-6-8-14(10)7-5-12-9-11(2,3)15-4/h6,8,12H,5,7,9H2,1-4H3
InChIKeyGLPGUXRABGQAFZ-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.21
Rot. Bonds6

About 2-methoxy-2-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]propan-1-amine

2-methoxy-2-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]propan-1-amine (PubChem CID 104760515) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-methoxy-2-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name2-methoxy-2-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]propan-1-amine
PubChem CID104760515
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2-methoxy-2-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]propan-1-amine
SMILESCOC(C)(C)CNCCn1ccnc1C
InChIInChI=1S/C11H21N3O/c1-10-13-6-8-14(10)7-5-12-9-11(2,3)15-4/h6,8,12H,5,7,9H2,1-4H3
InChIKeyGLPGUXRABGQAFZ-UHFFFAOYSA-N
XLogP1.21
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]propan-1-amine
CID 61493565
2-methyl-1-[2-(2-methylimidazol-1-yl)ethylamino]-3-methylsulfanylpropan-2-ol
CID 106247158
5-chloro-N-[2-(2-methylimidazol-1-yl)ethyl]pentan-1-amine
CID 107319925
3-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-2-propan-2-ylbutan-1-amine
CID 102905476
N-[2-(2-methylimidazol-1-yl)ethyl]pentan-1-amine
CID 61492853
2-chloro-3-methoxy-N-[2-(2-methylimidazol-1-yl)ethyl]propan-1-amine
CID 65023643
3,5-dimethoxy-N-[2-(2-methylimidazol-1-yl)ethyl]aniline
CID 61492962
2-(2-methylimidazol-1-yl)-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 106429372
4-[[2-(2-methylimidazol-1-yl)ethylamino]methyl]phenol
CID 114331892
2,2-dimethyl-3-(2-methylimidazol-1-yl)-N-propylpropan-1-amine
CID 79620191
6-iodo-N-[2-(2-methylimidazol-1-yl)ethyl]hexan-1-amine
CID 107844722
5-[2-(2-methylimidazol-1-yl)ethylamino]pentan-1-ol
CID 107317411

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]propan-1-amine?
The IUPAC name of 2-methoxy-2-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]propan-1-amine (CID 104760515) is 2-methoxy-2-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]propan-1-amine.
What is the SMILES notation for 2-methoxy-2-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]propan-1-amine?
The canonical SMILES for 2-methoxy-2-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]propan-1-amine is COC(C)(C)CNCCn1ccnc1C.
What is the InChIKey of 2-methoxy-2-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]propan-1-amine?
The InChIKey is GLPGUXRABGQAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-10-13-6-8-14(10)7-5-12-9-11(2,3)15-4/h6,8,12H,5,7,9H2,1-4H3.
What are the key properties of 2-methoxy-2-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]propan-1-amine?
2-methoxy-2-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]propan-1-amine has a molecular weight of 211.31 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]propan-1-amine is sourced from PubChem (CID 104760515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).