[1-(4-methyl-1-prop-2-enylimidazol-2-yl)pyrrolidin-2-yl]methanamine

C12H20N4 — CID 106553383

IUPAC[1-(4-methyl-1-prop-2-enylimidazol-2-yl)pyrrolidin-2-yl]methanamine
SMILESC=CCn1cc(C)nc1N1CCCC1CN
InChIInChI=1S/C12H20N4/c1-3-6-15-9-10(2)14-12(15)16-7-4-5-11(16)8-13/h3,9,11H,1,4-8,13H2,2H3
InChIKeyYGCNTWPKVIWCIY-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.31
Rot. Bonds4

About [1-(4-methyl-1-prop-2-enylimidazol-2-yl)pyrrolidin-2-yl]methanamine

[1-(4-methyl-1-prop-2-enylimidazol-2-yl)pyrrolidin-2-yl]methanamine (PubChem CID 106553383) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is [1-(4-methyl-1-prop-2-enylimidazol-2-yl)pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(4-methyl-1-prop-2-enylimidazol-2-yl)pyrrolidin-2-yl]methanamine
PubChem CID106553383
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name[1-(4-methyl-1-prop-2-enylimidazol-2-yl)pyrrolidin-2-yl]methanamine
SMILESC=CCn1cc(C)nc1N1CCCC1CN
InChIInChI=1S/C12H20N4/c1-3-6-15-9-10(2)14-12(15)16-7-4-5-11(16)8-13/h3,9,11H,1,4-8,13H2,2H3
InChIKeyYGCNTWPKVIWCIY-UHFFFAOYSA-N
XLogP1.31
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.31
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

1-(4-methyl-1-prop-2-enylimidazol-2-yl)pyrrolidin-3-amine
CID 106552451
[1-[1-(3-methoxypropyl)-4-methylimidazol-2-yl]piperidin-2-yl]methanamine
CID 106552257
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)-4-pyrrolidin-2-ylpiperidine
CID 106552601
(3S)-3-methyl-1-(4-methyl-1-prop-2-enylimidazol-2-yl)piperazine
CID 106553892
1-[1-(4-ethyl-1-prop-2-enylimidazol-2-yl)piperidin-2-yl]-N-methylmethanamine
CID 106552933
[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]methanamine
CID 16643268
[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]methanamine;hydrochloride
CID 71638307
4-methyl-1-prop-2-enyl-N-(1-pyrrolidin-1-ylpropan-2-yl)imidazol-2-amine
CID 106567600
N-methyl-1-[1-(1-prop-2-enylimidazol-2-yl)piperidin-2-yl]methanamine
CID 106552927
2-ethyl-4-methyl-1-prop-2-enylimidazole
CID 19066610
[1-(1-cyclopropyl-4-ethylimidazol-2-yl)piperidin-2-yl]methanamine
CID 106552245

Frequently Asked Questions

What is the IUPAC name of [1-(4-methyl-1-prop-2-enylimidazol-2-yl)pyrrolidin-2-yl]methanamine?
The IUPAC name of [1-(4-methyl-1-prop-2-enylimidazol-2-yl)pyrrolidin-2-yl]methanamine (CID 106553383) is [1-(4-methyl-1-prop-2-enylimidazol-2-yl)pyrrolidin-2-yl]methanamine.
What is the SMILES notation for [1-(4-methyl-1-prop-2-enylimidazol-2-yl)pyrrolidin-2-yl]methanamine?
The canonical SMILES for [1-(4-methyl-1-prop-2-enylimidazol-2-yl)pyrrolidin-2-yl]methanamine is C=CCn1cc(C)nc1N1CCCC1CN.
What is the InChIKey of [1-(4-methyl-1-prop-2-enylimidazol-2-yl)pyrrolidin-2-yl]methanamine?
The InChIKey is YGCNTWPKVIWCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-3-6-15-9-10(2)14-12(15)16-7-4-5-11(16)8-13/h3,9,11H,1,4-8,13H2,2H3.
What are the key properties of [1-(4-methyl-1-prop-2-enylimidazol-2-yl)pyrrolidin-2-yl]methanamine?
[1-(4-methyl-1-prop-2-enylimidazol-2-yl)pyrrolidin-2-yl]methanamine has a molecular weight of 220.32 g/mol, XLogP of 1.31, 4 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-2-yl]methanamine is sourced from PubChem (CID 106553383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).