N'-[1-(1-methoxypropan-2-yl)-4-methylimidazol-2-yl]-N'-methylethane-1,2-diamine

C11H22N4O — CID 106552497

IUPACN'-[1-(1-methoxypropan-2-yl)-4-methylimidazol-2-yl]-N'-methylethane-1,2-diamine
SMILESCOCC(C)n1cc(C)nc1N(C)CCN
InChIInChI=1S/C11H22N4O/c1-9-7-15(10(2)8-16-4)11(13-9)14(3)6-5-12/h7,10H,5-6,8,12H2,1-4H3
InChIKeyLASIXBXREBPHQK-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.79
Rot. Bonds6

About N'-[1-(1-methoxypropan-2-yl)-4-methylimidazol-2-yl]-N'-methylethane-1,2-diamine

N'-[1-(1-methoxypropan-2-yl)-4-methylimidazol-2-yl]-N'-methylethane-1,2-diamine (PubChem CID 106552497) has the molecular formula C11H22N4O and a molecular weight of 226.32 g/mol. Its IUPAC name is N'-[1-(1-methoxypropan-2-yl)-4-methylimidazol-2-yl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[1-(1-methoxypropan-2-yl)-4-methylimidazol-2-yl]-N'-methylethane-1,2-diamine
PubChem CID106552497
Molecular FormulaC11H22N4O
Molecular Weight226.32 g/mol
Exact Mass226.18
IUPAC NameN'-[1-(1-methoxypropan-2-yl)-4-methylimidazol-2-yl]-N'-methylethane-1,2-diamine
SMILESCOCC(C)n1cc(C)nc1N(C)CCN
InChIInChI=1S/C11H22N4O/c1-9-7-15(10(2)8-16-4)11(13-9)14(3)6-5-12/h7,10H,5-6,8,12H2,1-4H3
InChIKeyLASIXBXREBPHQK-UHFFFAOYSA-N
XLogP0.79
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-methoxypropan-2-yl)-N,4-dimethyl-N-(piperidin-4-ylmethyl)imidazol-2-amine
CID 106553043
N'-(1-ethyl-4-methylimidazol-2-yl)-N'-methylethane-1,2-diamine
CID 106552472
N-ethyl-1-(1-methoxypropan-2-yl)-4-methyl-N-(piperidin-4-ylmethyl)imidazol-2-amine
CID 106553078
1-(1-methoxypropan-2-yl)-4-methyl-N-(3-methylbutan-2-yl)imidazol-2-amine
CID 106554321
1-(1-methoxypropan-2-yl)-4-methyl-N-propylimidazol-2-amine
CID 106554728
N-(1-methoxy-3-methylbutan-2-yl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106575059
1-(1-methoxypropan-2-yl)-4-methyl-N-(4-methylpentan-2-yl)imidazol-2-amine
CID 106561678
N-[[1-(dimethylamino)cyclobutyl]methyl]-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106583085
1-[1-(1-methoxypropan-2-yl)-4-methylimidazol-2-yl]piperazine
CID 106552035
N'-ethyl-N'-[1-(2-methoxyethyl)-4-methylimidazol-2-yl]ethane-1,2-diamine
CID 106553976
N-[1-(4-chlorophenyl)ethyl]-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106565787
1-[1-(dimethylamino)propan-2-yl]-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106578638

Frequently Asked Questions

What is the IUPAC name of N'-[1-(1-methoxypropan-2-yl)-4-methylimidazol-2-yl]-N'-methylethane-1,2-diamine?
The IUPAC name of N'-[1-(1-methoxypropan-2-yl)-4-methylimidazol-2-yl]-N'-methylethane-1,2-diamine (CID 106552497) is N'-[1-(1-methoxypropan-2-yl)-4-methylimidazol-2-yl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-[1-(1-methoxypropan-2-yl)-4-methylimidazol-2-yl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-[1-(1-methoxypropan-2-yl)-4-methylimidazol-2-yl]-N'-methylethane-1,2-diamine is COCC(C)n1cc(C)nc1N(C)CCN.
What is the InChIKey of N'-[1-(1-methoxypropan-2-yl)-4-methylimidazol-2-yl]-N'-methylethane-1,2-diamine?
The InChIKey is LASIXBXREBPHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O/c1-9-7-15(10(2)8-16-4)11(13-9)14(3)6-5-12/h7,10H,5-6,8,12H2,1-4H3.
What are the key properties of N'-[1-(1-methoxypropan-2-yl)-4-methylimidazol-2-yl]-N'-methylethane-1,2-diamine?
N'-[1-(1-methoxypropan-2-yl)-4-methylimidazol-2-yl]-N'-methylethane-1,2-diamine has a molecular weight of 226.32 g/mol, XLogP of 0.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(1-methoxypropan-2-yl)-4-methylimidazol-2-yl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 106552497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).