N'-[4-ethyl-1-(3-methoxypropyl)imidazol-2-yl]-N'-methylpropane-1,3-diamine

C13H26N4O — CID 106553597

IUPACN'-[4-ethyl-1-(3-methoxypropyl)imidazol-2-yl]-N'-methylpropane-1,3-diamine
SMILESCCc1cn(CCCOC)c(N(C)CCCN)n1
InChIInChI=1S/C13H26N4O/c1-4-12-11-17(9-6-10-18-3)13(15-12)16(2)8-5-7-14/h11H,4-10,14H2,1-3H3
InChIKeyBRHAXIOTKANJPG-UHFFFAOYSA-N
MW254.38 g/mol
LogP1.27
Rot. Bonds9

About N'-[4-ethyl-1-(3-methoxypropyl)imidazol-2-yl]-N'-methylpropane-1,3-diamine

N'-[4-ethyl-1-(3-methoxypropyl)imidazol-2-yl]-N'-methylpropane-1,3-diamine (PubChem CID 106553597) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is N'-[4-ethyl-1-(3-methoxypropyl)imidazol-2-yl]-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[4-ethyl-1-(3-methoxypropyl)imidazol-2-yl]-N'-methylpropane-1,3-diamine
PubChem CID106553597
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC NameN'-[4-ethyl-1-(3-methoxypropyl)imidazol-2-yl]-N'-methylpropane-1,3-diamine
SMILESCCc1cn(CCCOC)c(N(C)CCCN)n1
InChIInChI=1S/C13H26N4O/c1-4-12-11-17(9-6-10-18-3)13(15-12)16(2)8-5-7-14/h11H,4-10,14H2,1-3H3
InChIKeyBRHAXIOTKANJPG-UHFFFAOYSA-N
XLogP1.27
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 51.27
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

N'-[4-ethyl-1-(2-methoxyethyl)imidazol-2-yl]-N'-methylpropane-1,3-diamine
CID 106553611
1-N-[4-ethyl-1-(2-methoxyethyl)imidazol-2-yl]-1-N,4-dimethylpentane-1,3-diamine
CID 106553569
N'-(1,4-diethylimidazol-2-yl)-N'-methylethane-1,2-diamine
CID 106552475
N'-(1-butyl-4-ethylimidazol-2-yl)-N,N'-dimethylethane-1,2-diamine
CID 106552783
N'-(1-cyclohexyl-4-ethylimidazol-2-yl)-N'-methylpropane-1,3-diamine
CID 106553612
N'-ethyl-N'-(4-ethyl-1-propylimidazol-2-yl)ethane-1,2-diamine
CID 106553982
1,4-diethyl-N-methyl-N-(2-piperazin-1-ylethyl)imidazol-2-amine
CID 106552617
1-[4-ethyl-1-(3-methoxypropyl)imidazol-2-yl]-4-methylpiperidin-3-amine
CID 106552794
N'-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-N,N'-dimethylpropane-1,3-diamine
CID 106553237
N'-ethyl-N'-[1-(2-methoxyethyl)-4-methylimidazol-2-yl]ethane-1,2-diamine
CID 106553976
1-[4-[4-ethyl-1-(3-methoxypropyl)imidazol-2-yl]morpholin-2-yl]ethanamine
CID 106553322
6-(aminomethyl)-N-(3-methoxypropyl)-N-methylpyrazin-2-amine
CID 66450103

Frequently Asked Questions

What is the IUPAC name of N'-[4-ethyl-1-(3-methoxypropyl)imidazol-2-yl]-N'-methylpropane-1,3-diamine?
The IUPAC name of N'-[4-ethyl-1-(3-methoxypropyl)imidazol-2-yl]-N'-methylpropane-1,3-diamine (CID 106553597) is N'-[4-ethyl-1-(3-methoxypropyl)imidazol-2-yl]-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N'-[4-ethyl-1-(3-methoxypropyl)imidazol-2-yl]-N'-methylpropane-1,3-diamine?
The canonical SMILES for N'-[4-ethyl-1-(3-methoxypropyl)imidazol-2-yl]-N'-methylpropane-1,3-diamine is CCc1cn(CCCOC)c(N(C)CCCN)n1.
What is the InChIKey of N'-[4-ethyl-1-(3-methoxypropyl)imidazol-2-yl]-N'-methylpropane-1,3-diamine?
The InChIKey is BRHAXIOTKANJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-4-12-11-17(9-6-10-18-3)13(15-12)16(2)8-5-7-14/h11H,4-10,14H2,1-3H3.
What are the key properties of N'-[4-ethyl-1-(3-methoxypropyl)imidazol-2-yl]-N'-methylpropane-1,3-diamine?
N'-[4-ethyl-1-(3-methoxypropyl)imidazol-2-yl]-N'-methylpropane-1,3-diamine has a molecular weight of 254.38 g/mol, XLogP of 1.27, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-ethyl-1-(3-methoxypropyl)imidazol-2-yl]-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 106553597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).