2-(3-cyclopropylimidazol-4-yl)-1-(2-methoxyethyl)pyrrolidin-3-amine

C13H22N4O — CID 66163942

IUPAC2-(3-cyclopropylimidazol-4-yl)-1-(2-methoxyethyl)pyrrolidin-3-amine
SMILESCOCCN1CCC(N)C1c1cncn1C1CC1
InChIInChI=1S/C13H22N4O/c1-18-7-6-16-5-4-11(14)13(16)12-8-15-9-17(12)10-2-3-10/h8-11,13H,2-7,14H2,1H3
InChIKeyPDPYJOQNVFTKPF-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.94
Rot. Bonds5

About 2-(3-cyclopropylimidazol-4-yl)-1-(2-methoxyethyl)pyrrolidin-3-amine

2-(3-cyclopropylimidazol-4-yl)-1-(2-methoxyethyl)pyrrolidin-3-amine (PubChem CID 66163942) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-(3-cyclopropylimidazol-4-yl)-1-(2-methoxyethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name2-(3-cyclopropylimidazol-4-yl)-1-(2-methoxyethyl)pyrrolidin-3-amine
PubChem CID66163942
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-(3-cyclopropylimidazol-4-yl)-1-(2-methoxyethyl)pyrrolidin-3-amine
SMILESCOCCN1CCC(N)C1c1cncn1C1CC1
InChIInChI=1S/C13H22N4O/c1-18-7-6-16-5-4-11(14)13(16)12-8-15-9-17(12)10-2-3-10/h8-11,13H,2-7,14H2,1H3
InChIKeyPDPYJOQNVFTKPF-UHFFFAOYSA-N
XLogP0.94
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxyethyl)-2-(3-methylimidazol-4-yl)pyrrolidin-3-amine
CID 66118965
1-(2-methoxyethyl)-2-(3-propan-2-ylimidazol-4-yl)pyrrolidin-3-amine
CID 66163591
[2-(3-cyclopropylimidazol-4-yl)-1-ethylpyrrolidin-3-yl]methanamine
CID 66162340
5-amino-4-(3-cyclopropylimidazol-4-yl)-3-(2-methoxyethyl)-4H-imidazol-2-one
CID 79967467
(2S,3R)-2-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-amine
CID 150837589
2-(3-propan-2-ylimidazol-4-yl)-1-propylpyrrolidin-3-amine
CID 66163186
[3-(3-cyclopropylimidazol-4-yl)-4-methylmorpholin-2-yl]methanamine
CID 66161936
1-[2-(3-cyclopropylimidazol-4-yl)-1-propylazepan-3-yl]-N-methylmethanamine
CID 66163144
2-[3-fluoro-5-(trifluoromethyl)phenyl]-1-(2-methoxyethyl)pyrrolidin-3-amine
CID 115350631
2-(1,5-dimethylpyrazol-4-yl)-1-(2-methoxyethyl)piperidin-3-amine
CID 79584518
1-[1-cyclopropyl-2-(3-cyclopropylimidazol-4-yl)pyrrolidin-3-yl]-N-methylmethanamine
CID 66161757
6-amino-7-(3-cyclopropylimidazol-4-yl)-1-(2-methylpropyl)azepan-2-one
CID 66163552

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropylimidazol-4-yl)-1-(2-methoxyethyl)pyrrolidin-3-amine?
The IUPAC name of 2-(3-cyclopropylimidazol-4-yl)-1-(2-methoxyethyl)pyrrolidin-3-amine (CID 66163942) is 2-(3-cyclopropylimidazol-4-yl)-1-(2-methoxyethyl)pyrrolidin-3-amine.
What is the SMILES notation for 2-(3-cyclopropylimidazol-4-yl)-1-(2-methoxyethyl)pyrrolidin-3-amine?
The canonical SMILES for 2-(3-cyclopropylimidazol-4-yl)-1-(2-methoxyethyl)pyrrolidin-3-amine is COCCN1CCC(N)C1c1cncn1C1CC1.
What is the InChIKey of 2-(3-cyclopropylimidazol-4-yl)-1-(2-methoxyethyl)pyrrolidin-3-amine?
The InChIKey is PDPYJOQNVFTKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-18-7-6-16-5-4-11(14)13(16)12-8-15-9-17(12)10-2-3-10/h8-11,13H,2-7,14H2,1H3.
What are the key properties of 2-(3-cyclopropylimidazol-4-yl)-1-(2-methoxyethyl)pyrrolidin-3-amine?
2-(3-cyclopropylimidazol-4-yl)-1-(2-methoxyethyl)pyrrolidin-3-amine has a molecular weight of 250.35 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropylimidazol-4-yl)-1-(2-methoxyethyl)pyrrolidin-3-amine is sourced from PubChem (CID 66163942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).