3-[(2R)-1-(2,3-dimethylbut-2-enyl)pyrrolidin-2-yl]but-3-en-2-imine

C14H24N2 — CID 134356332

IUPAC3-[(2R)-1-(2,3-dimethylbut-2-enyl)pyrrolidin-2-yl]but-3-en-2-imine
SMILES[H]/N=C(\C)C(=C)[C@H]1CCCN1CC(C)=C(C)C
InChIInChI=1S/C14H24N2/c1-10(2)11(3)9-16-8-6-7-14(16)12(4)13(5)15/h14-15H,4,6-9H2,1-3,5H3/b15-13+/t14-/m1/s1
InChIKeyFIPJOXLELSWTBI-SXWSKBOKSA-N
MW220.36 g/mol
LogP3.40
Rot. Bonds4

About 3-[(2R)-1-(2,3-dimethylbut-2-enyl)pyrrolidin-2-yl]but-3-en-2-imine

3-[(2R)-1-(2,3-dimethylbut-2-enyl)pyrrolidin-2-yl]but-3-en-2-imine (PubChem CID 134356332) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 3-[(2R)-1-(2,3-dimethylbut-2-enyl)pyrrolidin-2-yl]but-3-en-2-imine.

Molecular Properties

Compound Name3-[(2R)-1-(2,3-dimethylbut-2-enyl)pyrrolidin-2-yl]but-3-en-2-imine
PubChem CID134356332
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name3-[(2R)-1-(2,3-dimethylbut-2-enyl)pyrrolidin-2-yl]but-3-en-2-imine
SMILES[H]/N=C(\C)C(=C)[C@H]1CCCN1CC(C)=C(C)C
InChIInChI=1S/C14H24N2/c1-10(2)11(3)9-16-8-6-7-14(16)12(4)13(5)15/h14-15H,4,6-9H2,1-3,5H3/b15-13+/t14-/m1/s1
InChIKeyFIPJOXLELSWTBI-SXWSKBOKSA-N
XLogP3.40
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-1-(2,3-dimethylbut-2-enyl)pyrrolidin-2-yl]but-3-en-2-imine?
The IUPAC name of 3-[(2R)-1-(2,3-dimethylbut-2-enyl)pyrrolidin-2-yl]but-3-en-2-imine (CID 134356332) is 3-[(2R)-1-(2,3-dimethylbut-2-enyl)pyrrolidin-2-yl]but-3-en-2-imine.
What is the SMILES notation for 3-[(2R)-1-(2,3-dimethylbut-2-enyl)pyrrolidin-2-yl]but-3-en-2-imine?
The canonical SMILES for 3-[(2R)-1-(2,3-dimethylbut-2-enyl)pyrrolidin-2-yl]but-3-en-2-imine is [H]/N=C(\C)C(=C)[C@H]1CCCN1CC(C)=C(C)C.
What is the InChIKey of 3-[(2R)-1-(2,3-dimethylbut-2-enyl)pyrrolidin-2-yl]but-3-en-2-imine?
The InChIKey is FIPJOXLELSWTBI-SXWSKBOKSA-N. The full InChI is InChI=1S/C14H24N2/c1-10(2)11(3)9-16-8-6-7-14(16)12(4)13(5)15/h14-15H,4,6-9H2,1-3,5H3/b15-13+/t14-/m1/s1.
What are the key properties of 3-[(2R)-1-(2,3-dimethylbut-2-enyl)pyrrolidin-2-yl]but-3-en-2-imine?
3-[(2R)-1-(2,3-dimethylbut-2-enyl)pyrrolidin-2-yl]but-3-en-2-imine has a molecular weight of 220.36 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-1-(2,3-dimethylbut-2-enyl)pyrrolidin-2-yl]but-3-en-2-imine is sourced from PubChem (CID 134356332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).