N-[[3-(2-methoxypropyl)imidazol-4-yl]methyl]ethanamine

C10H19N3O — CID 102701714

IUPACN-[[3-(2-methoxypropyl)imidazol-4-yl]methyl]ethanamine
SMILESCCNCc1cncn1CC(C)OC
InChIInChI=1S/C10H19N3O/c1-4-11-5-10-6-12-8-13(10)7-9(2)14-3/h6,8-9,11H,4-5,7H2,1-3H3
InChIKeyXELWWOSBSCCXIT-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.03
Rot. Bonds6

About N-[[3-(2-methoxypropyl)imidazol-4-yl]methyl]ethanamine

N-[[3-(2-methoxypropyl)imidazol-4-yl]methyl]ethanamine (PubChem CID 102701714) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is N-[[3-(2-methoxypropyl)imidazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(2-methoxypropyl)imidazol-4-yl]methyl]ethanamine
PubChem CID102701714
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC NameN-[[3-(2-methoxypropyl)imidazol-4-yl]methyl]ethanamine
SMILESCCNCc1cncn1CC(C)OC
InChIInChI=1S/C10H19N3O/c1-4-11-5-10-6-12-8-13(10)7-9(2)14-3/h6,8-9,11H,4-5,7H2,1-3H3
InChIKeyXELWWOSBSCCXIT-UHFFFAOYSA-N
XLogP1.03
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(2-methoxypropyl)imidazol-4-yl]methanamine
CID 102701711
2-methoxy-N-[(3-propylimidazol-4-yl)methyl]propan-1-amine
CID 102696680
N-[[3-(2-methoxy-2-methylpropyl)imidazol-4-yl]methyl]ethanamine
CID 104766869
3-[5-(ethylaminomethyl)imidazol-1-yl]-N-methyl-N-propan-2-ylpropan-1-amine
CID 106040180
N-[(3-butylimidazol-4-yl)methyl]ethanamine
CID 66146486
2-[5-(ethylaminomethyl)imidazol-1-yl]-N-propan-2-ylacetamide
CID 66146319
4-[5-(ethylaminomethyl)imidazol-1-yl]-N-methyl-N-propan-2-ylbutan-1-amine
CID 66151168
N-[[3-(2,2-dimethylbutyl)imidazol-4-yl]methyl]ethanamine
CID 103466378
(1S)-1-[3-(2-methoxypropyl)imidazol-4-yl]ethanamine
CID 102702204
N-[[3-(2,3-dimethylbutyl)imidazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66149137
1-(2-methoxypyrimidin-5-yl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]methanamine
CID 131929830
N-[[3-(3-methylsulfonylpropyl)imidazol-4-yl]methyl]ethanamine
CID 66149891

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methoxypropyl)imidazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[3-(2-methoxypropyl)imidazol-4-yl]methyl]ethanamine (CID 102701714) is N-[[3-(2-methoxypropyl)imidazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(2-methoxypropyl)imidazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-(2-methoxypropyl)imidazol-4-yl]methyl]ethanamine is CCNCc1cncn1CC(C)OC.
What is the InChIKey of N-[[3-(2-methoxypropyl)imidazol-4-yl]methyl]ethanamine?
The InChIKey is XELWWOSBSCCXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-4-11-5-10-6-12-8-13(10)7-9(2)14-3/h6,8-9,11H,4-5,7H2,1-3H3.
What are the key properties of N-[[3-(2-methoxypropyl)imidazol-4-yl]methyl]ethanamine?
N-[[3-(2-methoxypropyl)imidazol-4-yl]methyl]ethanamine has a molecular weight of 197.28 g/mol, XLogP of 1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methoxypropyl)imidazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 102701714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).