1-(1-butyl-4-ethylimidazol-2-yl)pyrrolidin-3-amine

C13H24N4 — CID 106552458

IUPAC1-(1-butyl-4-ethylimidazol-2-yl)pyrrolidin-3-amine
SMILESCCCCn1cc(CC)nc1N1CCC(N)C1
InChIInChI=1S/C13H24N4/c1-3-5-7-16-10-12(4-2)15-13(16)17-8-6-11(14)9-17/h10-11H,3-9,14H2,1-2H3
InChIKeyZYKSYCBSIHNTLC-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.78
Rot. Bonds5

About 1-(1-butyl-4-ethylimidazol-2-yl)pyrrolidin-3-amine

1-(1-butyl-4-ethylimidazol-2-yl)pyrrolidin-3-amine (PubChem CID 106552458) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-(1-butyl-4-ethylimidazol-2-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-(1-butyl-4-ethylimidazol-2-yl)pyrrolidin-3-amine
PubChem CID106552458
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name1-(1-butyl-4-ethylimidazol-2-yl)pyrrolidin-3-amine
SMILESCCCCn1cc(CC)nc1N1CCC(N)C1
InChIInChI=1S/C13H24N4/c1-3-5-7-16-10-12(4-2)15-13(16)17-8-6-11(14)9-17/h10-11H,3-9,14H2,1-2H3
InChIKeyZYKSYCBSIHNTLC-UHFFFAOYSA-N
XLogP1.78
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-butyl-4-ethylimidazol-2-yl)-3-methylpiperidin-4-amine
CID 106552382
3-(1-butyl-4-ethylimidazol-2-yl)-3,9-diazabicyclo[4.2.1]nonane
CID 106553506
3-ethyl-1-(4-ethyl-1-propylimidazol-2-yl)piperidin-4-amine
CID 106553278
1-[4-ethyl-1-(3-methoxypropyl)imidazol-2-yl]-4-methylpiperidin-3-amine
CID 106552794
1-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]pyrrolidin-3-amine
CID 106552448
3-[1-(4-ethyl-1-propylimidazol-2-yl)piperidin-4-yl]oxypropan-1-amine
CID 106553112
1-(1,4-diethylimidazol-2-yl)-N-methylpyrrolidin-3-amine
CID 106553405
[1-[4-ethyl-1-(2-methoxyethyl)imidazol-2-yl]piperidin-3-yl]methanamine
CID 106552325
(3R)-1-(1,4-dimethylimidazol-2-yl)pyrrolidin-3-amine
CID 130905710
[1-(4-ethyl-1-methylimidazol-2-yl)piperidin-4-yl]methanamine
CID 106552311
2-(3-aminopyrrolidin-1-yl)-6-(methoxymethyl)-3-methylpyrimidin-4-one
CID 102549316
1-(4-ethyl-1-phenylimidazol-2-yl)piperidin-4-amine
CID 106551855

Frequently Asked Questions

What is the IUPAC name of 1-(1-butyl-4-ethylimidazol-2-yl)pyrrolidin-3-amine?
The IUPAC name of 1-(1-butyl-4-ethylimidazol-2-yl)pyrrolidin-3-amine (CID 106552458) is 1-(1-butyl-4-ethylimidazol-2-yl)pyrrolidin-3-amine.
What is the SMILES notation for 1-(1-butyl-4-ethylimidazol-2-yl)pyrrolidin-3-amine?
The canonical SMILES for 1-(1-butyl-4-ethylimidazol-2-yl)pyrrolidin-3-amine is CCCCn1cc(CC)nc1N1CCC(N)C1.
What is the InChIKey of 1-(1-butyl-4-ethylimidazol-2-yl)pyrrolidin-3-amine?
The InChIKey is ZYKSYCBSIHNTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-3-5-7-16-10-12(4-2)15-13(16)17-8-6-11(14)9-17/h10-11H,3-9,14H2,1-2H3.
What are the key properties of 1-(1-butyl-4-ethylimidazol-2-yl)pyrrolidin-3-amine?
1-(1-butyl-4-ethylimidazol-2-yl)pyrrolidin-3-amine has a molecular weight of 236.36 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butyl-4-ethylimidazol-2-yl)pyrrolidin-3-amine is sourced from PubChem (CID 106552458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).