1-ethoxy-N-[(5-methyl-1H-imidazol-4-yl)methyl]propan-2-amine

C10H19N3O — CID 62743048

IUPAC1-ethoxy-N-[(5-methyl-1H-imidazol-4-yl)methyl]propan-2-amine
SMILESCCOCC(C)NCc1nc[nH]c1C
InChIInChI=1S/C10H19N3O/c1-4-14-6-8(2)11-5-10-9(3)12-7-13-10/h7-8,11H,4-6H2,1-3H3,(H,12,13)
InChIKeyUKXVYPYIYGSZBT-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.23
Rot. Bonds6

About 1-ethoxy-N-[(5-methyl-1H-imidazol-4-yl)methyl]propan-2-amine

1-ethoxy-N-[(5-methyl-1H-imidazol-4-yl)methyl]propan-2-amine (PubChem CID 62743048) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-ethoxy-N-[(5-methyl-1H-imidazol-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-ethoxy-N-[(5-methyl-1H-imidazol-4-yl)methyl]propan-2-amine
PubChem CID62743048
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name1-ethoxy-N-[(5-methyl-1H-imidazol-4-yl)methyl]propan-2-amine
SMILESCCOCC(C)NCc1nc[nH]c1C
InChIInChI=1S/C10H19N3O/c1-4-14-6-8(2)11-5-10-9(3)12-7-13-10/h7-8,11H,4-6H2,1-3H3,(H,12,13)
InChIKeyUKXVYPYIYGSZBT-UHFFFAOYSA-N
XLogP1.23
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazine
CID 3817838
N-[(4-methyl-1H-imidazol-5-yl)methyl]cyclohexanamine
CID 42776872
N-methyl-N-[(4-methyl-1H-imidazol-5-yl)methyl]-2-morpholin-4-ylpropan-1-amine
CID 50971906
4-({1-[(4-methyl-1H-imidazol-5-yl)methyl]-4-piperidinyl}methyl)morpholine
CID 70716922
N-(3-methoxypropyl)-1-methyl-N-[(4-methyl-1H-imidazol-5-yl)methyl]-4-piperidinamine
CID 70764160
4-[(4-methyl-1H-imidazol-5-yl)methyl]-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepane
CID 74236034
(4-methyl-1H-imidazol-5-yl)methanamine
CID 20393969
N-[(5-methyl-1H-imidazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 63829064
1,1,1-trifluoro-3-[(5-methyl-1H-imidazol-4-yl)methylamino]propan-2-ol
CID 105643374
1,1-difluoro-3-[(5-methyl-1H-imidazol-4-yl)methylamino]propan-2-ol
CID 105644198
2-(2,2-difluoroethoxy)-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine
CID 105905631
4,4,4-trifluoro-N-[(5-methyl-1H-imidazol-4-yl)methyl]butan-2-amine
CID 105932093

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-N-[(5-methyl-1H-imidazol-4-yl)methyl]propan-2-amine?
The IUPAC name of 1-ethoxy-N-[(5-methyl-1H-imidazol-4-yl)methyl]propan-2-amine (CID 62743048) is 1-ethoxy-N-[(5-methyl-1H-imidazol-4-yl)methyl]propan-2-amine.
What is the SMILES notation for 1-ethoxy-N-[(5-methyl-1H-imidazol-4-yl)methyl]propan-2-amine?
The canonical SMILES for 1-ethoxy-N-[(5-methyl-1H-imidazol-4-yl)methyl]propan-2-amine is CCOCC(C)NCc1nc[nH]c1C.
What is the InChIKey of 1-ethoxy-N-[(5-methyl-1H-imidazol-4-yl)methyl]propan-2-amine?
The InChIKey is UKXVYPYIYGSZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-4-14-6-8(2)11-5-10-9(3)12-7-13-10/h7-8,11H,4-6H2,1-3H3,(H,12,13).
What are the key properties of 1-ethoxy-N-[(5-methyl-1H-imidazol-4-yl)methyl]propan-2-amine?
1-ethoxy-N-[(5-methyl-1H-imidazol-4-yl)methyl]propan-2-amine has a molecular weight of 197.28 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-N-[(5-methyl-1H-imidazol-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 62743048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).