N',N'-diethyl-N-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]propane-1,3-diamine

C15H30N4O — CID 106558822

IUPACN',N'-diethyl-N-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]propane-1,3-diamine
SMILESCCN(CC)CCCNc1nc(C)cn1CCCOC
InChIInChI=1S/C15H30N4O/c1-5-18(6-2)10-7-9-16-15-17-14(3)13-19(15)11-8-12-20-4/h13H,5-12H2,1-4H3,(H,16,17)
InChIKeyNEAXOFAOBUHAHV-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.37
Rot. Bonds11

About N',N'-diethyl-N-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]propane-1,3-diamine

N',N'-diethyl-N-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]propane-1,3-diamine (PubChem CID 106558822) has the molecular formula C15H30N4O and a molecular weight of 282.43 g/mol. Its IUPAC name is N',N'-diethyl-N-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]propane-1,3-diamine
PubChem CID106558822
Molecular FormulaC15H30N4O
Molecular Weight282.43 g/mol
Exact Mass282.24
IUPAC NameN',N'-diethyl-N-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]propane-1,3-diamine
SMILESCCN(CC)CCCNc1nc(C)cn1CCCOC
InChIInChI=1S/C15H30N4O/c1-5-18(6-2)10-7-9-16-15-17-14(3)13-19(15)11-8-12-20-4/h13H,5-12H2,1-4H3,(H,16,17)
InChIKeyNEAXOFAOBUHAHV-UHFFFAOYSA-N
XLogP2.37
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.37
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-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]-N',N'-dimethylethane-1,2-diamine
CID 106555104
N',N'-diethyl-N-[1-(3-methoxypropyl)imidazol-2-yl]propane-1,3-diamine
CID 106558814
1-[2-(2-methoxyethoxy)ethyl]-N-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106564456
1-(3-methoxypropyl)-4-methyl-N-prop-2-enylimidazol-2-amine
CID 106561174
1-(2-methoxyethyl)-4-methyl-N-octylimidazol-2-amine
CID 106578866
N-(2-ethoxy-2-methylpropyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106583265
N-(3-methoxypropyl)-4-methyl-1-(3-pyrrolidin-1-ylpropyl)imidazol-2-amine
CID 106572086
1-[2-[cyclopropyl(methyl)amino]ethyl]-N-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106571519
N-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-N'-ethyl-N'-methylethane-1,2-diamine
CID 106570399
1-[3-(diethylamino)propyl]-N-(3-methoxypropyl)imidazol-2-amine
CID 106558829
1-(3-methoxypropyl)-4-methyl-N-(2-morpholin-4-ylethyl)imidazol-2-amine
CID 106559331
N-(2-cyclohexylethyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106563359

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]propane-1,3-diamine?
The IUPAC name of N',N'-diethyl-N-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]propane-1,3-diamine (CID 106558822) is N',N'-diethyl-N-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]propane-1,3-diamine.
What is the SMILES notation for N',N'-diethyl-N-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]propane-1,3-diamine?
The canonical SMILES for N',N'-diethyl-N-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]propane-1,3-diamine is CCN(CC)CCCNc1nc(C)cn1CCCOC.
What is the InChIKey of N',N'-diethyl-N-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]propane-1,3-diamine?
The InChIKey is NEAXOFAOBUHAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O/c1-5-18(6-2)10-7-9-16-15-17-14(3)13-19(15)11-8-12-20-4/h13H,5-12H2,1-4H3,(H,16,17).
What are the key properties of N',N'-diethyl-N-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]propane-1,3-diamine?
N',N'-diethyl-N-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]propane-1,3-diamine has a molecular weight of 282.43 g/mol, XLogP of 2.37, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]propane-1,3-diamine is sourced from PubChem (CID 106558822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).