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

C12H24N4O — CID 106555104

IUPACN-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCOCCCn1cc(C)nc1NCCN(C)C
InChIInChI=1S/C12H24N4O/c1-11-10-16(7-5-9-17-4)12(14-11)13-6-8-15(2)3/h10H,5-9H2,1-4H3,(H,13,14)
InChIKeyLFPZOJPCDWRZFS-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.20
Rot. Bonds8

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

N-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 106555104) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is N-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]-N',N'-dimethylethane-1,2-diamine
PubChem CID106555104
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC NameN-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCOCCCn1cc(C)nc1NCCN(C)C
InChIInChI=1S/C12H24N4O/c1-11-10-16(7-5-9-17-4)12(14-11)13-6-8-15(2)3/h10H,5-9H2,1-4H3,(H,13,14)
InChIKeyLFPZOJPCDWRZFS-UHFFFAOYSA-N
XLogP1.20
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.20
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',N'-diethyl-N-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]propane-1,3-diamine
CID 106558822
1-(3-methoxypropyl)-4-methyl-N-prop-2-enylimidazol-2-amine
CID 106561174
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-[2-(2-methoxyethoxy)ethyl]-N-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106564456
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
N-(3-methoxypropyl)-4-methyl-1-(3-pyrrolidin-1-ylpropyl)imidazol-2-amine
CID 106572086
1-[2-(dimethylamino)-2-methylpropyl]-N-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106569041
1-(2-methoxyethyl)-4-methyl-N-octylimidazol-2-amine
CID 106578866
N-(2-methoxyethyl)-4-methyl-1-(3-pyrrolidin-1-ylpropyl)imidazol-2-amine
CID 106572059
N-(2-ethoxy-2-methylpropyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106583265

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]-N',N'-dimethylethane-1,2-diamine (CID 106555104) is N-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]-N',N'-dimethylethane-1,2-diamine is COCCCn1cc(C)nc1NCCN(C)C.
What is the InChIKey of N-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is LFPZOJPCDWRZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-11-10-16(7-5-9-17-4)12(14-11)13-6-8-15(2)3/h10H,5-9H2,1-4H3,(H,13,14).
What are the key properties of N-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]-N',N'-dimethylethane-1,2-diamine?
N-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 240.35 g/mol, XLogP of 1.20, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 106555104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).