2-(3-methylimidazol-4-yl)-2-(3-phenylpyrrolidin-1-yl)ethanamine

C16H22N4 — CID 66119616

IUPAC2-(3-methylimidazol-4-yl)-2-(3-phenylpyrrolidin-1-yl)ethanamine
SMILESCn1cncc1C(CN)N1CCC(c2ccccc2)C1
InChIInChI=1S/C16H22N4/c1-19-12-18-10-16(19)15(9-17)20-8-7-14(11-20)13-5-3-2-4-6-13/h2-6,10,12,14-15H,7-9,11,17H2,1H3
InChIKeyUVOVQJHNIFOYRC-UHFFFAOYSA-N
MW270.38 g/mol
LogP1.91
Rot. Bonds4

About 2-(3-methylimidazol-4-yl)-2-(3-phenylpyrrolidin-1-yl)ethanamine

2-(3-methylimidazol-4-yl)-2-(3-phenylpyrrolidin-1-yl)ethanamine (PubChem CID 66119616) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-(3-methylimidazol-4-yl)-2-(3-phenylpyrrolidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3-methylimidazol-4-yl)-2-(3-phenylpyrrolidin-1-yl)ethanamine
PubChem CID66119616
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name2-(3-methylimidazol-4-yl)-2-(3-phenylpyrrolidin-1-yl)ethanamine
SMILESCn1cncc1C(CN)N1CCC(c2ccccc2)C1
InChIInChI=1S/C16H22N4/c1-19-12-18-10-16(19)15(9-17)20-8-7-14(11-20)13-5-3-2-4-6-13/h2-6,10,12,14-15H,7-9,11,17H2,1H3
InChIKeyUVOVQJHNIFOYRC-UHFFFAOYSA-N
XLogP1.91
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylimidazol-4-yl)-2-(3-phenylpyrrolidin-1-yl)ethanamine?
The IUPAC name of 2-(3-methylimidazol-4-yl)-2-(3-phenylpyrrolidin-1-yl)ethanamine (CID 66119616) is 2-(3-methylimidazol-4-yl)-2-(3-phenylpyrrolidin-1-yl)ethanamine.
What is the SMILES notation for 2-(3-methylimidazol-4-yl)-2-(3-phenylpyrrolidin-1-yl)ethanamine?
The canonical SMILES for 2-(3-methylimidazol-4-yl)-2-(3-phenylpyrrolidin-1-yl)ethanamine is Cn1cncc1C(CN)N1CCC(c2ccccc2)C1.
What is the InChIKey of 2-(3-methylimidazol-4-yl)-2-(3-phenylpyrrolidin-1-yl)ethanamine?
The InChIKey is UVOVQJHNIFOYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-19-12-18-10-16(19)15(9-17)20-8-7-14(11-20)13-5-3-2-4-6-13/h2-6,10,12,14-15H,7-9,11,17H2,1H3.
What are the key properties of 2-(3-methylimidazol-4-yl)-2-(3-phenylpyrrolidin-1-yl)ethanamine?
2-(3-methylimidazol-4-yl)-2-(3-phenylpyrrolidin-1-yl)ethanamine has a molecular weight of 270.38 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylimidazol-4-yl)-2-(3-phenylpyrrolidin-1-yl)ethanamine is sourced from PubChem (CID 66119616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).