[2-(3-cyclopropylimidazol-4-yl)-1-ethylpyrrolidin-3-yl]methanamine

C13H22N4 — CID 66162340

IUPAC[2-(3-cyclopropylimidazol-4-yl)-1-ethylpyrrolidin-3-yl]methanamine
SMILESCCN1CCC(CN)C1c1cncn1C1CC1
InChIInChI=1S/C13H22N4/c1-2-16-6-5-10(7-14)13(16)12-8-15-9-17(12)11-3-4-11/h8-11,13H,2-7,14H2,1H3
InChIKeyUUSNKPNESSEQJP-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.56
Rot. Bonds4

About [2-(3-cyclopropylimidazol-4-yl)-1-ethylpyrrolidin-3-yl]methanamine

[2-(3-cyclopropylimidazol-4-yl)-1-ethylpyrrolidin-3-yl]methanamine (PubChem CID 66162340) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is [2-(3-cyclopropylimidazol-4-yl)-1-ethylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[2-(3-cyclopropylimidazol-4-yl)-1-ethylpyrrolidin-3-yl]methanamine
PubChem CID66162340
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name[2-(3-cyclopropylimidazol-4-yl)-1-ethylpyrrolidin-3-yl]methanamine
SMILESCCN1CCC(CN)C1c1cncn1C1CC1
InChIInChI=1S/C13H22N4/c1-2-16-6-5-10(7-14)13(16)12-8-15-9-17(12)11-3-4-11/h8-11,13H,2-7,14H2,1H3
InChIKeyUUSNKPNESSEQJP-UHFFFAOYSA-N
XLogP1.56
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-ethyl-2-(3-methylimidazol-4-yl)azepan-3-yl]methanamine
CID 66116859
2-(3-cyclopropylimidazol-4-yl)-1-(2-methoxyethyl)pyrrolidin-3-amine
CID 66163942
[3-(3-cyclopropylimidazol-4-yl)-4-methylmorpholin-2-yl]methanamine
CID 66161936
1-[1-cyclopropyl-2-(3-cyclopropylimidazol-4-yl)pyrrolidin-3-yl]-N-methylmethanamine
CID 66161757
1-[2-(3-cyclopropylimidazol-4-yl)-1-propylazepan-3-yl]-N-methylmethanamine
CID 66163144
[1-cyclopropyl-2-(3-propan-2-ylimidazol-4-yl)pyrrolidin-3-yl]methanamine
CID 66163581
[2-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrrolidin-3-yl]methanamine
CID 79584047
1-ethyl-2-(3-propan-2-ylimidazol-4-yl)azepan-3-amine
CID 66163787
[2-(1-ethylpyrazol-4-yl)-1-propylpyrrolidin-3-yl]methanamine
CID 103570733
N-[[2-(3-cyclopropylimidazol-4-yl)cyclopropyl]methyl]ethanamine
CID 66140268
(1-ethyl-2-methylpyrrolidin-3-yl)methanamine
CID 117022133
[1-ethyl-2-(5-fluoro-2-methylphenyl)pyrrolidin-3-yl]methanamine
CID 114075932

Frequently Asked Questions

What is the IUPAC name of [2-(3-cyclopropylimidazol-4-yl)-1-ethylpyrrolidin-3-yl]methanamine?
The IUPAC name of [2-(3-cyclopropylimidazol-4-yl)-1-ethylpyrrolidin-3-yl]methanamine (CID 66162340) is [2-(3-cyclopropylimidazol-4-yl)-1-ethylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [2-(3-cyclopropylimidazol-4-yl)-1-ethylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [2-(3-cyclopropylimidazol-4-yl)-1-ethylpyrrolidin-3-yl]methanamine is CCN1CCC(CN)C1c1cncn1C1CC1.
What is the InChIKey of [2-(3-cyclopropylimidazol-4-yl)-1-ethylpyrrolidin-3-yl]methanamine?
The InChIKey is UUSNKPNESSEQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-2-16-6-5-10(7-14)13(16)12-8-15-9-17(12)11-3-4-11/h8-11,13H,2-7,14H2,1H3.
What are the key properties of [2-(3-cyclopropylimidazol-4-yl)-1-ethylpyrrolidin-3-yl]methanamine?
[2-(3-cyclopropylimidazol-4-yl)-1-ethylpyrrolidin-3-yl]methanamine has a molecular weight of 234.35 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-cyclopropylimidazol-4-yl)-1-ethylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 66162340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).