2-ethoxy-2-methyl-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine

C11H21N3O — CID 114940693

IUPAC2-ethoxy-2-methyl-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine
SMILESCCOC(C)(C)CNCc1cncn1C
InChIInChI=1S/C11H21N3O/c1-5-15-11(2,3)8-12-6-10-7-13-9-14(10)4/h7,9,12H,5-6,8H2,1-4H3
InChIKeySKBAXUGNRFFXMG-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.32
Rot. Bonds6

About 2-ethoxy-2-methyl-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine

2-ethoxy-2-methyl-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine (PubChem CID 114940693) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-ethoxy-2-methyl-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-ethoxy-2-methyl-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine
PubChem CID114940693
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2-ethoxy-2-methyl-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine
SMILESCCOC(C)(C)CNCc1cncn1C
InChIInChI=1S/C11H21N3O/c1-5-15-11(2,3)8-12-6-10-7-13-9-14(10)4/h7,9,12H,5-6,8H2,1-4H3
InChIKeySKBAXUGNRFFXMG-UHFFFAOYSA-N
XLogP1.32
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 ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N'-[(3-methylimidazol-4-yl)methyl]propane-1,3-diamine
CID 103510883
2-ethoxy-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylpropan-1-amine
CID 114941443
1-(3-ethoxyphenyl)-N-[(3-methylimidazol-4-yl)methyl]methanamine
CID 63001902
N'-[(3-methylimidazol-4-yl)methyl]-N-propylpropane-1,3-diamine
CID 103510884
3,3,3-trifluoro-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine
CID 66116451
2-cyclopropyl-N-[(3-methylimidazol-4-yl)methyl]ethanamine
CID 66118770
3-butoxy-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine
CID 115606778
N-ethyl-N-methyl-2-[(3-methylimidazol-4-yl)methylamino]acetamide
CID 104923403
N-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-ethoxy-2-methylpropan-1-amine
CID 114941939
1-(3-methylimidazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 63001488
N-[(3-methylimidazol-4-yl)methyl]-2-phenylethanamine
CID 53397214
N-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-ethoxy-2-methylpropan-1-amine
CID 114941895

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-methyl-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine?
The IUPAC name of 2-ethoxy-2-methyl-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine (CID 114940693) is 2-ethoxy-2-methyl-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for 2-ethoxy-2-methyl-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for 2-ethoxy-2-methyl-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine is CCOC(C)(C)CNCc1cncn1C.
What is the InChIKey of 2-ethoxy-2-methyl-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine?
The InChIKey is SKBAXUGNRFFXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-5-15-11(2,3)8-12-6-10-7-13-9-14(10)4/h7,9,12H,5-6,8H2,1-4H3.
What are the key properties of 2-ethoxy-2-methyl-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine?
2-ethoxy-2-methyl-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine has a molecular weight of 211.31 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-methyl-N-[(3-methylimidazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 114940693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).