2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]-1-pyrrolidin-1-ylpropan-1-one

C14H24N4O — CID 91829700

IUPAC2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCc1nccn1CCN(C)C(C)C(=O)N1CCCC1
InChIInChI=1S/C14H24N4O/c1-12(14(19)18-7-4-5-8-18)16(3)10-11-17-9-6-15-13(17)2/h6,9,12H,4-5,7-8,10-11H2,1-3H3
InChIKeyIPIDKCQAOMETNL-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.13
Rot. Bonds5

About 2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]-1-pyrrolidin-1-ylpropan-1-one

2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 91829700) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID91829700
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCc1nccn1CCN(C)C(C)C(=O)N1CCCC1
InChIInChI=1S/C14H24N4O/c1-12(14(19)18-7-4-5-8-18)16(3)10-11-17-9-6-15-13(17)2/h6,9,12H,4-5,7-8,10-11H2,1-3H3
InChIKeyIPIDKCQAOMETNL-UHFFFAOYSA-N
XLogP1.13
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]-1-pyrrolidin-1-ylpropan-1-one (CID 91829700) is 2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]-1-pyrrolidin-1-ylpropan-1-one is Cc1nccn1CCN(C)C(C)C(=O)N1CCCC1.
What is the InChIKey of 2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is IPIDKCQAOMETNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-12(14(19)18-7-4-5-8-18)16(3)10-11-17-9-6-15-13(17)2/h6,9,12H,4-5,7-8,10-11H2,1-3H3.
What are the key properties of 2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]-1-pyrrolidin-1-ylpropan-1-one?
2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 264.37 g/mol, XLogP of 1.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 91829700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).