1-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-4-methylpiperidin-3-amine

C15H28N4O — CID 106552827

IUPAC1-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-4-methylpiperidin-3-amine
SMILESCCOCCCn1cc(C)nc1N1CCC(C)C(N)C1
InChIInChI=1S/C15H28N4O/c1-4-20-9-5-7-18-10-13(3)17-15(18)19-8-6-12(2)14(16)11-19/h10,12,14H,4-9,11,16H2,1-3H3
InChIKeyBTBGHEQOCRZJBL-UHFFFAOYSA-N
MW280.42 g/mol
LogP1.79
Rot. Bonds6

About 1-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-4-methylpiperidin-3-amine

1-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-4-methylpiperidin-3-amine (PubChem CID 106552827) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 1-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-4-methylpiperidin-3-amine.

Molecular Properties

Compound Name1-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-4-methylpiperidin-3-amine
PubChem CID106552827
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name1-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-4-methylpiperidin-3-amine
SMILESCCOCCCn1cc(C)nc1N1CCC(C)C(N)C1
InChIInChI=1S/C15H28N4O/c1-4-20-9-5-7-18-10-13(3)17-15(18)19-8-6-12(2)14(16)11-19/h10,12,14H,4-9,11,16H2,1-3H3
InChIKeyBTBGHEQOCRZJBL-UHFFFAOYSA-N
XLogP1.79
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 ≤ 51.79
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

4-methyl-1-(4-methyl-1-propylimidazol-2-yl)piperidin-3-amine
CID 106552803
1-[1-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]pyrrolidin-3-yl]ethanamine
CID 106553671
1-[4-ethyl-1-(3-methoxypropyl)imidazol-2-yl]-4-methylpiperidin-3-amine
CID 106552794
1-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]pyrrolidin-3-amine
CID 106552448
1-[1-(2-methoxyethyl)-4-methylimidazol-2-yl]-4-methylpyrrolidin-3-amine
CID 106554015
1-(3-ethoxypropyl)-4-methylpiperidin-3-amine
CID 65180830
N-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-1,3-dimethylpiperidin-4-amine
CID 106582802
1-(1-butyl-4-ethylimidazol-2-yl)-3-methylpiperidin-4-amine
CID 106552382
1-[1-(3-ethoxypropyl)imidazol-2-yl]pyrrolidin-3-amine
CID 106552450
[1-(4-methyl-1-propylimidazol-2-yl)piperidin-4-yl]methanamine
CID 106552287
[1-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]piperidin-2-yl]methanamine
CID 106552257
1-(4-methyl-1-prop-2-enylimidazol-2-yl)pyrrolidin-3-amine
CID 106552451

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-4-methylpiperidin-3-amine?
The IUPAC name of 1-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-4-methylpiperidin-3-amine (CID 106552827) is 1-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-4-methylpiperidin-3-amine.
What is the SMILES notation for 1-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-4-methylpiperidin-3-amine?
The canonical SMILES for 1-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-4-methylpiperidin-3-amine is CCOCCCn1cc(C)nc1N1CCC(C)C(N)C1.
What is the InChIKey of 1-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-4-methylpiperidin-3-amine?
The InChIKey is BTBGHEQOCRZJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-4-20-9-5-7-18-10-13(3)17-15(18)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-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-4-methylpiperidin-3-amine?
1-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-4-methylpiperidin-3-amine has a molecular weight of 280.42 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-4-methylpiperidin-3-amine is sourced from PubChem (CID 106552827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).