2-(3-cyclopropylimidazol-4-yl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanamine

C14H24N4O2 — CID 103531900

IUPAC2-(3-cyclopropylimidazol-4-yl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanamine
SMILESCOC1CN(C(CN)c2cncn2C2CC2)CC1OC
InChIInChI=1S/C14H24N4O2/c1-19-13-7-17(8-14(13)20-2)11(5-15)12-6-16-9-18(12)10-3-4-10/h6,9-11,13-14H,3-5,7-8,15H2,1-2H3
InChIKeyMDEITBKOBZNGIJ-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.56
Rot. Bonds6

About 2-(3-cyclopropylimidazol-4-yl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanamine

2-(3-cyclopropylimidazol-4-yl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanamine (PubChem CID 103531900) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-(3-cyclopropylimidazol-4-yl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3-cyclopropylimidazol-4-yl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanamine
PubChem CID103531900
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name2-(3-cyclopropylimidazol-4-yl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanamine
SMILESCOC1CN(C(CN)c2cncn2C2CC2)CC1OC
InChIInChI=1S/C14H24N4O2/c1-19-13-7-17(8-14(13)20-2)11(5-15)12-6-16-9-18(12)10-3-4-10/h6,9-11,13-14H,3-5,7-8,15H2,1-2H3
InChIKeyMDEITBKOBZNGIJ-UHFFFAOYSA-N
XLogP0.56
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-cyclopropylimidazol-4-yl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine
CID 102964895
2-(3-cyclopropylimidazol-4-yl)-2-(4-propan-2-ylazepan-1-yl)ethanamine
CID 66141630
1-(3-cyclopropylimidazol-4-yl)-N,N-diethylethane-1,2-diamine
CID 66141826
3-amino-1-(3-cyclopropylimidazol-4-yl)propan-1-ol
CID 79126295
2-(4-methoxypiperidin-1-yl)-2-(3-propan-2-ylimidazol-4-yl)ethanamine
CID 66163603
2-(2-cyclopentylpyrrolidin-1-yl)-2-(3-cyclopropylimidazol-4-yl)ethanamine
CID 66139830
2-amino-1-(3-cyclobutylimidazol-4-yl)ethanol
CID 83875789
3-methyl-2-[3-(4-methylcyclohexyl)imidazol-4-yl]butan-1-amine
CID 107444389
1-(3-cyclopropylimidazol-4-yl)-N-propylethane-1,2-diamine
CID 66141019
4-amino-3-(3-cyclopropylimidazol-4-yl)pentan-1-ol
CID 66140672
3-amino-1-(3-cyclopropylimidazol-4-yl)-2,2-dimethylpropan-1-ol
CID 79126294
ethyl 4-(3-cyclopropylimidazol-4-yl)-4-hydroxybutanoate
CID 66162909

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropylimidazol-4-yl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanamine?
The IUPAC name of 2-(3-cyclopropylimidazol-4-yl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanamine (CID 103531900) is 2-(3-cyclopropylimidazol-4-yl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanamine.
What is the SMILES notation for 2-(3-cyclopropylimidazol-4-yl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanamine?
The canonical SMILES for 2-(3-cyclopropylimidazol-4-yl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanamine is COC1CN(C(CN)c2cncn2C2CC2)CC1OC.
What is the InChIKey of 2-(3-cyclopropylimidazol-4-yl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanamine?
The InChIKey is MDEITBKOBZNGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-19-13-7-17(8-14(13)20-2)11(5-15)12-6-16-9-18(12)10-3-4-10/h6,9-11,13-14H,3-5,7-8,15H2,1-2H3.
What are the key properties of 2-(3-cyclopropylimidazol-4-yl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanamine?
2-(3-cyclopropylimidazol-4-yl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanamine has a molecular weight of 280.37 g/mol, XLogP of 0.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropylimidazol-4-yl)-2-(3,4-dimethoxypyrrolidin-1-yl)ethanamine is sourced from PubChem (CID 103531900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).