N-[[2-(2-methoxypropan-2-yl)-1H-imidazol-5-yl]methyl]ethanamine

C10H19N3O — CID 79198081

IUPACN-[[2-(2-methoxypropan-2-yl)-1H-imidazol-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(C(C)(C)OC)[nH]1
InChIInChI=1S/C10H19N3O/c1-5-11-6-8-7-12-9(13-8)10(2,3)14-4/h7,11H,5-6H2,1-4H3,(H,12,13)
InChIKeyZDTLQTFKQDLXGE-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.40
Rot. Bonds5

About N-[[2-(2-methoxypropan-2-yl)-1H-imidazol-5-yl]methyl]ethanamine

N-[[2-(2-methoxypropan-2-yl)-1H-imidazol-5-yl]methyl]ethanamine (PubChem CID 79198081) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is N-[[2-(2-methoxypropan-2-yl)-1H-imidazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(2-methoxypropan-2-yl)-1H-imidazol-5-yl]methyl]ethanamine
PubChem CID79198081
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC NameN-[[2-(2-methoxypropan-2-yl)-1H-imidazol-5-yl]methyl]ethanamine
SMILESCCNCc1cnc(C(C)(C)OC)[nH]1
InChIInChI=1S/C10H19N3O/c1-5-11-6-8-7-12-9(13-8)10(2,3)14-4/h7,11H,5-6H2,1-4H3,(H,12,13)
InChIKeyZDTLQTFKQDLXGE-UHFFFAOYSA-N
XLogP1.40
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methoxypropan-2-yl)-1H-imidazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(2-methoxypropan-2-yl)-1H-imidazol-5-yl]methyl]ethanamine (CID 79198081) is N-[[2-(2-methoxypropan-2-yl)-1H-imidazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(2-methoxypropan-2-yl)-1H-imidazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(2-methoxypropan-2-yl)-1H-imidazol-5-yl]methyl]ethanamine is CCNCc1cnc(C(C)(C)OC)[nH]1.
What is the InChIKey of N-[[2-(2-methoxypropan-2-yl)-1H-imidazol-5-yl]methyl]ethanamine?
The InChIKey is ZDTLQTFKQDLXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-5-11-6-8-7-12-9(13-8)10(2,3)14-4/h7,11H,5-6H2,1-4H3,(H,12,13).
What are the key properties of N-[[2-(2-methoxypropan-2-yl)-1H-imidazol-5-yl]methyl]ethanamine?
N-[[2-(2-methoxypropan-2-yl)-1H-imidazol-5-yl]methyl]ethanamine has a molecular weight of 197.28 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methoxypropan-2-yl)-1H-imidazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 79198081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).