1-(1,4-diethylimidazol-2-yl)-N-methylpyrrolidin-3-amine

C12H22N4 — CID 106553405

IUPAC1-(1,4-diethylimidazol-2-yl)-N-methylpyrrolidin-3-amine
SMILESCCc1cn(CC)c(N2CCC(NC)C2)n1
InChIInChI=1S/C12H22N4/c1-4-10-8-15(5-2)12(14-10)16-7-6-11(9-16)13-3/h8,11,13H,4-7,9H2,1-3H3
InChIKeyIOKMCROUIGBOOM-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.26
Rot. Bonds4

About 1-(1,4-diethylimidazol-2-yl)-N-methylpyrrolidin-3-amine

1-(1,4-diethylimidazol-2-yl)-N-methylpyrrolidin-3-amine (PubChem CID 106553405) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 1-(1,4-diethylimidazol-2-yl)-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(1,4-diethylimidazol-2-yl)-N-methylpyrrolidin-3-amine
PubChem CID106553405
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name1-(1,4-diethylimidazol-2-yl)-N-methylpyrrolidin-3-amine
SMILESCCc1cn(CC)c(N2CCC(NC)C2)n1
InChIInChI=1S/C12H22N4/c1-4-10-8-15(5-2)12(14-10)16-7-6-11(9-16)13-3/h8,11,13H,4-7,9H2,1-3H3
InChIKeyIOKMCROUIGBOOM-UHFFFAOYSA-N
XLogP1.26
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-ethyl-1-(2-methylpropyl)imidazol-2-yl]-N-methylpiperidin-3-amine
CID 106552531
1-(4-ethyl-1-methylimidazol-2-yl)-N-methylpiperidin-3-amine
CID 106552545
1-(1-ethylimidazol-2-yl)-N-methylpyrrolidin-3-amine
CID 115300867
1-[4-ethyl-1-(1-methoxypropan-2-yl)imidazol-2-yl]-N-methylpiperidin-3-amine
CID 106552534
3-(1-butyl-4-ethylimidazol-2-yl)-3,9-diazabicyclo[4.2.1]nonane
CID 106553506
1-(1-butyl-4-ethylimidazol-2-yl)pyrrolidin-3-amine
CID 106552458
3-(4-ethyl-1-prop-2-enylimidazol-2-yl)-3,9-diazabicyclo[4.2.1]nonane
CID 106553508
1-(5,6-diethyl-1,2,4-triazin-3-yl)-N-methylpyrrolidin-3-amine
CID 105363076
3-ethyl-1-(4-ethyl-1-propylimidazol-2-yl)piperidin-4-amine
CID 106553278
N-methyl-1-(1-propylimidazol-2-yl)pyrrolidin-3-amine
CID 106553421
1-(1-butyl-4-ethylimidazol-2-yl)-3-methylpiperidin-4-amine
CID 106552382
1,2,4-triethylimidazole
CID 24871662

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-diethylimidazol-2-yl)-N-methylpyrrolidin-3-amine?
The IUPAC name of 1-(1,4-diethylimidazol-2-yl)-N-methylpyrrolidin-3-amine (CID 106553405) is 1-(1,4-diethylimidazol-2-yl)-N-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-(1,4-diethylimidazol-2-yl)-N-methylpyrrolidin-3-amine?
The canonical SMILES for 1-(1,4-diethylimidazol-2-yl)-N-methylpyrrolidin-3-amine is CCc1cn(CC)c(N2CCC(NC)C2)n1.
What is the InChIKey of 1-(1,4-diethylimidazol-2-yl)-N-methylpyrrolidin-3-amine?
The InChIKey is IOKMCROUIGBOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-4-10-8-15(5-2)12(14-10)16-7-6-11(9-16)13-3/h8,11,13H,4-7,9H2,1-3H3.
What are the key properties of 1-(1,4-diethylimidazol-2-yl)-N-methylpyrrolidin-3-amine?
1-(1,4-diethylimidazol-2-yl)-N-methylpyrrolidin-3-amine has a molecular weight of 222.34 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-diethylimidazol-2-yl)-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 106553405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).