5-[(dimethylamino)methyl]-1-(3-methylbut-2-enyl)pyrrolidin-3-ol

C12H24N2O — CID 66053592

IUPAC5-[(dimethylamino)methyl]-1-(3-methylbut-2-enyl)pyrrolidin-3-ol
SMILESCC(C)=CCN1CC(O)CC1CN(C)C
InChIInChI=1S/C12H24N2O/c1-10(2)5-6-14-9-12(15)7-11(14)8-13(3)4/h5,11-12,15H,6-9H2,1-4H3
InChIKeyIJNBNEJLNWOLFJ-UHFFFAOYSA-N
MW212.34 g/mol
LogP0.95
Rot. Bonds4

About 5-[(dimethylamino)methyl]-1-(3-methylbut-2-enyl)pyrrolidin-3-ol

5-[(dimethylamino)methyl]-1-(3-methylbut-2-enyl)pyrrolidin-3-ol (PubChem CID 66053592) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-1-(3-methylbut-2-enyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-1-(3-methylbut-2-enyl)pyrrolidin-3-ol
PubChem CID66053592
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name5-[(dimethylamino)methyl]-1-(3-methylbut-2-enyl)pyrrolidin-3-ol
SMILESCC(C)=CCN1CC(O)CC1CN(C)C
InChIInChI=1S/C12H24N2O/c1-10(2)5-6-14-9-12(15)7-11(14)8-13(3)4/h5,11-12,15H,6-9H2,1-4H3
InChIKeyIJNBNEJLNWOLFJ-UHFFFAOYSA-N
XLogP0.95
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(dimethylamino)methyl]-1-(3-methylbut-2-enyl)pyrrolidin-3-ol?
The IUPAC name of 5-[(dimethylamino)methyl]-1-(3-methylbut-2-enyl)pyrrolidin-3-ol (CID 66053592) is 5-[(dimethylamino)methyl]-1-(3-methylbut-2-enyl)pyrrolidin-3-ol.
What is the SMILES notation for 5-[(dimethylamino)methyl]-1-(3-methylbut-2-enyl)pyrrolidin-3-ol?
The canonical SMILES for 5-[(dimethylamino)methyl]-1-(3-methylbut-2-enyl)pyrrolidin-3-ol is CC(C)=CCN1CC(O)CC1CN(C)C.
What is the InChIKey of 5-[(dimethylamino)methyl]-1-(3-methylbut-2-enyl)pyrrolidin-3-ol?
The InChIKey is IJNBNEJLNWOLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-10(2)5-6-14-9-12(15)7-11(14)8-13(3)4/h5,11-12,15H,6-9H2,1-4H3.
What are the key properties of 5-[(dimethylamino)methyl]-1-(3-methylbut-2-enyl)pyrrolidin-3-ol?
5-[(dimethylamino)methyl]-1-(3-methylbut-2-enyl)pyrrolidin-3-ol has a molecular weight of 212.34 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylamino)methyl]-1-(3-methylbut-2-enyl)pyrrolidin-3-ol is sourced from PubChem (CID 66053592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).