N-[[3-(2-methoxy-2-methylpropyl)imidazol-4-yl]methyl]ethanamine

C11H21N3O — CID 104766869

IUPACN-[[3-(2-methoxy-2-methylpropyl)imidazol-4-yl]methyl]ethanamine
SMILESCCNCc1cncn1CC(C)(C)OC
InChIInChI=1S/C11H21N3O/c1-5-12-6-10-7-13-9-14(10)8-11(2,3)15-4/h7,9,12H,5-6,8H2,1-4H3
InChIKeyLBYRPKBGEBOSQR-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.42
Rot. Bonds6

About N-[[3-(2-methoxy-2-methylpropyl)imidazol-4-yl]methyl]ethanamine

N-[[3-(2-methoxy-2-methylpropyl)imidazol-4-yl]methyl]ethanamine (PubChem CID 104766869) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is N-[[3-(2-methoxy-2-methylpropyl)imidazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(2-methoxy-2-methylpropyl)imidazol-4-yl]methyl]ethanamine
PubChem CID104766869
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC NameN-[[3-(2-methoxy-2-methylpropyl)imidazol-4-yl]methyl]ethanamine
SMILESCCNCc1cncn1CC(C)(C)OC
InChIInChI=1S/C11H21N3O/c1-5-12-6-10-7-13-9-14(10)8-11(2,3)15-4/h7,9,12H,5-6,8H2,1-4H3
InChIKeyLBYRPKBGEBOSQR-UHFFFAOYSA-N
XLogP1.42
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 ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methoxy-2-methylpropyl)imidazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[3-(2-methoxy-2-methylpropyl)imidazol-4-yl]methyl]ethanamine (CID 104766869) is N-[[3-(2-methoxy-2-methylpropyl)imidazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(2-methoxy-2-methylpropyl)imidazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-(2-methoxy-2-methylpropyl)imidazol-4-yl]methyl]ethanamine is CCNCc1cncn1CC(C)(C)OC.
What is the InChIKey of N-[[3-(2-methoxy-2-methylpropyl)imidazol-4-yl]methyl]ethanamine?
The InChIKey is LBYRPKBGEBOSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-5-12-6-10-7-13-9-14(10)8-11(2,3)15-4/h7,9,12H,5-6,8H2,1-4H3.
What are the key properties of N-[[3-(2-methoxy-2-methylpropyl)imidazol-4-yl]methyl]ethanamine?
N-[[3-(2-methoxy-2-methylpropyl)imidazol-4-yl]methyl]ethanamine has a molecular weight of 211.31 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methoxy-2-methylpropyl)imidazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 104766869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).