1-[1-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]pyrrolidin-3-yl]ethanamine

C15H28N4O — CID 106553671

IUPAC1-[1-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]pyrrolidin-3-yl]ethanamine
SMILESCCOCCCn1cc(C)nc1N1CCC(C(C)N)C1
InChIInChI=1S/C15H28N4O/c1-4-20-9-5-7-18-10-12(2)17-15(18)19-8-6-14(11-19)13(3)16/h10,13-14H,4-9,11,16H2,1-3H3
InChIKeyJMHQQGTUTNMGEH-UHFFFAOYSA-N
MW280.42 g/mol
LogP1.79
Rot. Bonds7

About 1-[1-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]pyrrolidin-3-yl]ethanamine

1-[1-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]pyrrolidin-3-yl]ethanamine (PubChem CID 106553671) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 1-[1-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]pyrrolidin-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]pyrrolidin-3-yl]ethanamine
PubChem CID106553671
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name1-[1-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]pyrrolidin-3-yl]ethanamine
SMILESCCOCCCn1cc(C)nc1N1CCC(C(C)N)C1
InChIInChI=1S/C15H28N4O/c1-4-20-9-5-7-18-10-12(2)17-15(18)19-8-6-14(11-19)13(3)16/h10,13-14H,4-9,11,16H2,1-3H3
InChIKeyJMHQQGTUTNMGEH-UHFFFAOYSA-N
XLogP1.79
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 51.79
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-(3-methoxypropyl)-4-methylimidazol-2-yl]pyrrolidin-3-amine
CID 106552448
N-(1-cyclohexylethyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106571255
4-methyl-1-(4-methyl-1-propylimidazol-2-yl)piperidin-3-amine
CID 106552803
1-[1-(3-ethoxypropyl)imidazol-2-yl]pyrrolidin-3-amine
CID 106552450
[1-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]piperidin-2-yl]methanamine
CID 106552257
1-[4-[4-ethyl-1-(3-methoxypropyl)imidazol-2-yl]morpholin-2-yl]ethanamine
CID 106553322
N-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-1,3-dimethylpiperidin-4-amine
CID 106582802
1-[4-ethyl-1-(3-methoxypropyl)imidazol-2-yl]-4-methylpiperidin-3-amine
CID 106552794
1-(3-cyclopropylpropyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106582520
1-(3-ethoxypropyl)-4-methyl-N-[(4-methylmorpholin-2-yl)methyl]imidazol-2-amine
CID 106576043
1-(3-ethoxypropyl)-4-methyl-N-[(1-methylpiperidin-2-yl)methyl]imidazol-2-amine
CID 106565251

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]pyrrolidin-3-yl]ethanamine?
The IUPAC name of 1-[1-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]pyrrolidin-3-yl]ethanamine (CID 106553671) is 1-[1-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]pyrrolidin-3-yl]ethanamine.
What is the SMILES notation for 1-[1-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]pyrrolidin-3-yl]ethanamine?
The canonical SMILES for 1-[1-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]pyrrolidin-3-yl]ethanamine is CCOCCCn1cc(C)nc1N1CCC(C(C)N)C1.
What is the InChIKey of 1-[1-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]pyrrolidin-3-yl]ethanamine?
The InChIKey is JMHQQGTUTNMGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-4-20-9-5-7-18-10-12(2)17-15(18)19-8-6-14(11-19)13(3)16/h10,13-14H,4-9,11,16H2,1-3H3.
What are the key properties of 1-[1-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]pyrrolidin-3-yl]ethanamine?
1-[1-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]pyrrolidin-3-yl]ethanamine has a molecular weight of 280.42 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]pyrrolidin-3-yl]ethanamine is sourced from PubChem (CID 106553671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).