1-(4-ethyl-5-propyl-1H-imidazol-2-yl)-3-methoxypropan-1-amine

C12H23N3O — CID 115000319

IUPAC1-(4-ethyl-5-propyl-1H-imidazol-2-yl)-3-methoxypropan-1-amine
SMILESCCCc1[nH]c(C(N)CCOC)nc1CC
InChIInChI=1S/C12H23N3O/c1-4-6-11-10(5-2)14-12(15-11)9(13)7-8-16-3/h9H,4-8,13H2,1-3H3,(H,14,15)
InChIKeyGIQRYBYTGIRLQO-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.96
Rot. Bonds7

About 1-(4-ethyl-5-propyl-1H-imidazol-2-yl)-3-methoxypropan-1-amine

1-(4-ethyl-5-propyl-1H-imidazol-2-yl)-3-methoxypropan-1-amine (PubChem CID 115000319) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-(4-ethyl-5-propyl-1H-imidazol-2-yl)-3-methoxypropan-1-amine.

Molecular Properties

Compound Name1-(4-ethyl-5-propyl-1H-imidazol-2-yl)-3-methoxypropan-1-amine
PubChem CID115000319
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name1-(4-ethyl-5-propyl-1H-imidazol-2-yl)-3-methoxypropan-1-amine
SMILESCCCc1[nH]c(C(N)CCOC)nc1CC
InChIInChI=1S/C12H23N3O/c1-4-6-11-10(5-2)14-12(15-11)9(13)7-8-16-3/h9H,4-8,13H2,1-3H3,(H,14,15)
InChIKeyGIQRYBYTGIRLQO-UHFFFAOYSA-N
XLogP1.96
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-5-propyl-1H-imidazol-2-yl)-3-methoxypropan-1-amine?
The IUPAC name of 1-(4-ethyl-5-propyl-1H-imidazol-2-yl)-3-methoxypropan-1-amine (CID 115000319) is 1-(4-ethyl-5-propyl-1H-imidazol-2-yl)-3-methoxypropan-1-amine.
What is the SMILES notation for 1-(4-ethyl-5-propyl-1H-imidazol-2-yl)-3-methoxypropan-1-amine?
The canonical SMILES for 1-(4-ethyl-5-propyl-1H-imidazol-2-yl)-3-methoxypropan-1-amine is CCCc1[nH]c(C(N)CCOC)nc1CC.
What is the InChIKey of 1-(4-ethyl-5-propyl-1H-imidazol-2-yl)-3-methoxypropan-1-amine?
The InChIKey is GIQRYBYTGIRLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-4-6-11-10(5-2)14-12(15-11)9(13)7-8-16-3/h9H,4-8,13H2,1-3H3,(H,14,15).
What are the key properties of 1-(4-ethyl-5-propyl-1H-imidazol-2-yl)-3-methoxypropan-1-amine?
1-(4-ethyl-5-propyl-1H-imidazol-2-yl)-3-methoxypropan-1-amine has a molecular weight of 225.34 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-5-propyl-1H-imidazol-2-yl)-3-methoxypropan-1-amine is sourced from PubChem (CID 115000319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).