1-(4-methyl-1-prop-2-enylimidazol-2-yl)pyrrolidin-3-amine

C11H18N4 — CID 106552451

IUPAC1-(4-methyl-1-prop-2-enylimidazol-2-yl)pyrrolidin-3-amine
SMILESC=CCn1cc(C)nc1N1CCC(N)C1
InChIInChI=1S/C11H18N4/c1-3-5-14-7-9(2)13-11(14)15-6-4-10(12)8-15/h3,7,10H,1,4-6,8,12H2,2H3
InChIKeyGCWPKLVOBATYBE-UHFFFAOYSA-N
MW206.29 g/mol
LogP0.91
Rot. Bonds3

About 1-(4-methyl-1-prop-2-enylimidazol-2-yl)pyrrolidin-3-amine

1-(4-methyl-1-prop-2-enylimidazol-2-yl)pyrrolidin-3-amine (PubChem CID 106552451) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-(4-methyl-1-prop-2-enylimidazol-2-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-(4-methyl-1-prop-2-enylimidazol-2-yl)pyrrolidin-3-amine
PubChem CID106552451
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name1-(4-methyl-1-prop-2-enylimidazol-2-yl)pyrrolidin-3-amine
SMILESC=CCn1cc(C)nc1N1CCC(N)C1
InChIInChI=1S/C11H18N4/c1-3-5-14-7-9(2)13-11(14)15-6-4-10(12)8-15/h3,7,10H,1,4-6,8,12H2,2H3
InChIKeyGCWPKLVOBATYBE-UHFFFAOYSA-N
XLogP0.91
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-methyl-1-(4-methyl-1-prop-2-enylimidazol-2-yl)piperazine
CID 106553892
1-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]pyrrolidin-3-amine
CID 106552448
(3R)-1-(1,4-dimethylimidazol-2-yl)pyrrolidin-3-amine
CID 130905710
3-[1-(4-methyl-1-prop-2-enylimidazol-2-yl)piperidin-4-yl]oxypropan-1-amine
CID 106553104
[1-(4-methyl-1-prop-2-enylimidazol-2-yl)pyrrolidin-2-yl]methanamine
CID 106553383
1-(4-methyl-1-prop-2-enylimidazol-2-yl)-4-pyrrolidin-2-ylpiperidine
CID 106552601
3-(4-ethyl-1-prop-2-enylimidazol-2-yl)-3,9-diazabicyclo[4.2.1]nonane
CID 106553508
4-methyl-1-(4-methyl-1-propylimidazol-2-yl)piperidin-3-amine
CID 106552803
1-(1-butyl-4-ethylimidazol-2-yl)pyrrolidin-3-amine
CID 106552458
[1-(4-methyl-1-propylimidazol-2-yl)piperidin-4-yl]methanamine
CID 106552287
(3R)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-3-amine
CID 71638298
4-methyl-N-[(1-methylpiperidin-4-yl)methyl]-1-prop-2-enylimidazol-2-amine
CID 106567076

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1-prop-2-enylimidazol-2-yl)pyrrolidin-3-amine?
The IUPAC name of 1-(4-methyl-1-prop-2-enylimidazol-2-yl)pyrrolidin-3-amine (CID 106552451) is 1-(4-methyl-1-prop-2-enylimidazol-2-yl)pyrrolidin-3-amine.
What is the SMILES notation for 1-(4-methyl-1-prop-2-enylimidazol-2-yl)pyrrolidin-3-amine?
The canonical SMILES for 1-(4-methyl-1-prop-2-enylimidazol-2-yl)pyrrolidin-3-amine is C=CCn1cc(C)nc1N1CCC(N)C1.
What is the InChIKey of 1-(4-methyl-1-prop-2-enylimidazol-2-yl)pyrrolidin-3-amine?
The InChIKey is GCWPKLVOBATYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-3-5-14-7-9(2)13-11(14)15-6-4-10(12)8-15/h3,7,10H,1,4-6,8,12H2,2H3.
What are the key properties of 1-(4-methyl-1-prop-2-enylimidazol-2-yl)pyrrolidin-3-amine?
1-(4-methyl-1-prop-2-enylimidazol-2-yl)pyrrolidin-3-amine has a molecular weight of 206.29 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1-prop-2-enylimidazol-2-yl)pyrrolidin-3-amine is sourced from PubChem (CID 106552451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).