1-[4-ethyl-1-(3-methoxypropyl)imidazol-2-yl]-4-methylpiperidin-3-amine

C15H28N4O — CID 106552794

IUPAC1-[4-ethyl-1-(3-methoxypropyl)imidazol-2-yl]-4-methylpiperidin-3-amine
SMILESCCc1cn(CCCOC)c(N2CCC(C)C(N)C2)n1
InChIInChI=1S/C15H28N4O/c1-4-13-10-18(7-5-9-20-3)15(17-13)19-8-6-12(2)14(16)11-19/h10,12,14H,4-9,11,16H2,1-3H3
InChIKeyJLTBHHKTXVAAPO-UHFFFAOYSA-N
MW280.42 g/mol
LogP1.66
Rot. Bonds6

About 1-[4-ethyl-1-(3-methoxypropyl)imidazol-2-yl]-4-methylpiperidin-3-amine

1-[4-ethyl-1-(3-methoxypropyl)imidazol-2-yl]-4-methylpiperidin-3-amine (PubChem CID 106552794) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 1-[4-ethyl-1-(3-methoxypropyl)imidazol-2-yl]-4-methylpiperidin-3-amine.

Molecular Properties

Compound Name1-[4-ethyl-1-(3-methoxypropyl)imidazol-2-yl]-4-methylpiperidin-3-amine
PubChem CID106552794
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name1-[4-ethyl-1-(3-methoxypropyl)imidazol-2-yl]-4-methylpiperidin-3-amine
SMILESCCc1cn(CCCOC)c(N2CCC(C)C(N)C2)n1
InChIInChI=1S/C15H28N4O/c1-4-13-10-18(7-5-9-20-3)15(17-13)19-8-6-12(2)14(16)11-19/h10,12,14H,4-9,11,16H2,1-3H3
InChIKeyJLTBHHKTXVAAPO-UHFFFAOYSA-N
XLogP1.66
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-4-methylpiperidin-3-amine
CID 106552827
1-(1-butyl-4-ethylimidazol-2-yl)-3-methylpiperidin-4-amine
CID 106552382
1-(1-butyl-4-ethylimidazol-2-yl)pyrrolidin-3-amine
CID 106552458
1-[4-[4-ethyl-1-(3-methoxypropyl)imidazol-2-yl]morpholin-2-yl]ethanamine
CID 106553322
1-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]pyrrolidin-3-amine
CID 106552448
4-methyl-1-(4-methyl-1-propylimidazol-2-yl)piperidin-3-amine
CID 106552803
3-ethyl-1-(4-ethyl-1-propylimidazol-2-yl)piperidin-4-amine
CID 106553278
[1-[4-ethyl-1-(2-methoxyethyl)imidazol-2-yl]piperidin-3-yl]methanamine
CID 106552325
1-[1-(2-methoxyethyl)-4-methylimidazol-2-yl]-4-methylpyrrolidin-3-amine
CID 106554015
3-ethyl-1-[1-(3-methoxypropyl)imidazol-2-yl]piperidin-4-amine
CID 106553250
3-(1-butyl-4-ethylimidazol-2-yl)-3,9-diazabicyclo[4.2.1]nonane
CID 106553506
3-[1-(4-ethyl-1-propylimidazol-2-yl)piperidin-4-yl]oxypropan-1-amine
CID 106553112

Frequently Asked Questions

What is the IUPAC name of 1-[4-ethyl-1-(3-methoxypropyl)imidazol-2-yl]-4-methylpiperidin-3-amine?
The IUPAC name of 1-[4-ethyl-1-(3-methoxypropyl)imidazol-2-yl]-4-methylpiperidin-3-amine (CID 106552794) is 1-[4-ethyl-1-(3-methoxypropyl)imidazol-2-yl]-4-methylpiperidin-3-amine.
What is the SMILES notation for 1-[4-ethyl-1-(3-methoxypropyl)imidazol-2-yl]-4-methylpiperidin-3-amine?
The canonical SMILES for 1-[4-ethyl-1-(3-methoxypropyl)imidazol-2-yl]-4-methylpiperidin-3-amine is CCc1cn(CCCOC)c(N2CCC(C)C(N)C2)n1.
What is the InChIKey of 1-[4-ethyl-1-(3-methoxypropyl)imidazol-2-yl]-4-methylpiperidin-3-amine?
The InChIKey is JLTBHHKTXVAAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-4-13-10-18(7-5-9-20-3)15(17-13)19-8-6-12(2)14(16)11-19/h10,12,14H,4-9,11,16H2,1-3H3.
What are the key properties of 1-[4-ethyl-1-(3-methoxypropyl)imidazol-2-yl]-4-methylpiperidin-3-amine?
1-[4-ethyl-1-(3-methoxypropyl)imidazol-2-yl]-4-methylpiperidin-3-amine has a molecular weight of 280.42 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-ethyl-1-(3-methoxypropyl)imidazol-2-yl]-4-methylpiperidin-3-amine is sourced from PubChem (CID 106552794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).