N-[[2-methyl-3-(2-propan-2-yloxyethyl)imidazol-4-yl]methyl]ethanamine

C12H23N3O — CID 65173082

IUPACN-[[2-methyl-3-(2-propan-2-yloxyethyl)imidazol-4-yl]methyl]ethanamine
SMILESCCNCc1cnc(C)n1CCOC(C)C
InChIInChI=1S/C12H23N3O/c1-5-13-8-12-9-14-11(4)15(12)6-7-16-10(2)3/h9-10,13H,5-8H2,1-4H3
InChIKeyFUKWWAMMTSXRRL-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.73
Rot. Bonds7

About N-[[2-methyl-3-(2-propan-2-yloxyethyl)imidazol-4-yl]methyl]ethanamine

N-[[2-methyl-3-(2-propan-2-yloxyethyl)imidazol-4-yl]methyl]ethanamine (PubChem CID 65173082) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is N-[[2-methyl-3-(2-propan-2-yloxyethyl)imidazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-methyl-3-(2-propan-2-yloxyethyl)imidazol-4-yl]methyl]ethanamine
PubChem CID65173082
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC NameN-[[2-methyl-3-(2-propan-2-yloxyethyl)imidazol-4-yl]methyl]ethanamine
SMILESCCNCc1cnc(C)n1CCOC(C)C
InChIInChI=1S/C12H23N3O/c1-5-13-8-12-9-14-11(4)15(12)6-7-16-10(2)3/h9-10,13H,5-8H2,1-4H3
InChIKeyFUKWWAMMTSXRRL-UHFFFAOYSA-N
XLogP1.73
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-methyl-3-(2-propan-2-yloxyethyl)imidazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[2-methyl-3-(2-propan-2-yloxyethyl)imidazol-4-yl]methyl]ethanamine (CID 65173082) is N-[[2-methyl-3-(2-propan-2-yloxyethyl)imidazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-methyl-3-(2-propan-2-yloxyethyl)imidazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-methyl-3-(2-propan-2-yloxyethyl)imidazol-4-yl]methyl]ethanamine is CCNCc1cnc(C)n1CCOC(C)C.
What is the InChIKey of N-[[2-methyl-3-(2-propan-2-yloxyethyl)imidazol-4-yl]methyl]ethanamine?
The InChIKey is FUKWWAMMTSXRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-5-13-8-12-9-14-11(4)15(12)6-7-16-10(2)3/h9-10,13H,5-8H2,1-4H3.
What are the key properties of N-[[2-methyl-3-(2-propan-2-yloxyethyl)imidazol-4-yl]methyl]ethanamine?
N-[[2-methyl-3-(2-propan-2-yloxyethyl)imidazol-4-yl]methyl]ethanamine has a molecular weight of 225.34 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methyl-3-(2-propan-2-yloxyethyl)imidazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 65173082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).