1-(2-methoxyethyl)-2-(3-propan-2-ylimidazol-4-yl)pyrrolidin-3-amine

C13H24N4O — CID 66163591

IUPAC1-(2-methoxyethyl)-2-(3-propan-2-ylimidazol-4-yl)pyrrolidin-3-amine
SMILESCOCCN1CCC(N)C1c1cncn1C(C)C
InChIInChI=1S/C13H24N4O/c1-10(2)17-9-15-8-12(17)13-11(14)4-5-16(13)6-7-18-3/h8-11,13H,4-7,14H2,1-3H3
InChIKeyIBXLJPPFBFICIY-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.18
Rot. Bonds5

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

1-(2-methoxyethyl)-2-(3-propan-2-ylimidazol-4-yl)pyrrolidin-3-amine (PubChem CID 66163591) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-2-(3-propan-2-ylimidazol-4-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-2-(3-propan-2-ylimidazol-4-yl)pyrrolidin-3-amine
PubChem CID66163591
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name1-(2-methoxyethyl)-2-(3-propan-2-ylimidazol-4-yl)pyrrolidin-3-amine
SMILESCOCCN1CCC(N)C1c1cncn1C(C)C
InChIInChI=1S/C13H24N4O/c1-10(2)17-9-15-8-12(17)13-11(14)4-5-16(13)6-7-18-3/h8-11,13H,4-7,14H2,1-3H3
InChIKeyIBXLJPPFBFICIY-UHFFFAOYSA-N
XLogP1.18
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-2-(3-propan-2-ylimidazol-4-yl)pyrrolidin-3-amine?
The IUPAC name of 1-(2-methoxyethyl)-2-(3-propan-2-ylimidazol-4-yl)pyrrolidin-3-amine (CID 66163591) is 1-(2-methoxyethyl)-2-(3-propan-2-ylimidazol-4-yl)pyrrolidin-3-amine.
What is the SMILES notation for 1-(2-methoxyethyl)-2-(3-propan-2-ylimidazol-4-yl)pyrrolidin-3-amine?
The canonical SMILES for 1-(2-methoxyethyl)-2-(3-propan-2-ylimidazol-4-yl)pyrrolidin-3-amine is COCCN1CCC(N)C1c1cncn1C(C)C.
What is the InChIKey of 1-(2-methoxyethyl)-2-(3-propan-2-ylimidazol-4-yl)pyrrolidin-3-amine?
The InChIKey is IBXLJPPFBFICIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-10(2)17-9-15-8-12(17)13-11(14)4-5-16(13)6-7-18-3/h8-11,13H,4-7,14H2,1-3H3.
What are the key properties of 1-(2-methoxyethyl)-2-(3-propan-2-ylimidazol-4-yl)pyrrolidin-3-amine?
1-(2-methoxyethyl)-2-(3-propan-2-ylimidazol-4-yl)pyrrolidin-3-amine has a molecular weight of 252.36 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-2-(3-propan-2-ylimidazol-4-yl)pyrrolidin-3-amine is sourced from PubChem (CID 66163591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).