5-[(dimethylamino)methyl]-1-(3-methoxypropyl)pyrrolidin-3-ol

C11H24N2O2 — CID 66053960

IUPAC5-[(dimethylamino)methyl]-1-(3-methoxypropyl)pyrrolidin-3-ol
SMILESCOCCCN1CC(O)CC1CN(C)C
InChIInChI=1S/C11H24N2O2/c1-12(2)8-10-7-11(14)9-13(10)5-4-6-15-3/h10-11,14H,4-9H2,1-3H3
InChIKeyUTBIFNRJTZNRDI-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.02
Rot. Bonds6

About 5-[(dimethylamino)methyl]-1-(3-methoxypropyl)pyrrolidin-3-ol

5-[(dimethylamino)methyl]-1-(3-methoxypropyl)pyrrolidin-3-ol (PubChem CID 66053960) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-1-(3-methoxypropyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-1-(3-methoxypropyl)pyrrolidin-3-ol
PubChem CID66053960
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name5-[(dimethylamino)methyl]-1-(3-methoxypropyl)pyrrolidin-3-ol
SMILESCOCCCN1CC(O)CC1CN(C)C
InChIInChI=1S/C11H24N2O2/c1-12(2)8-10-7-11(14)9-13(10)5-4-6-15-3/h10-11,14H,4-9H2,1-3H3
InChIKeyUTBIFNRJTZNRDI-UHFFFAOYSA-N
XLogP0.02
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(dimethylamino)methyl]-1-(3-methoxypropyl)pyrrolidin-3-ol?
The IUPAC name of 5-[(dimethylamino)methyl]-1-(3-methoxypropyl)pyrrolidin-3-ol (CID 66053960) is 5-[(dimethylamino)methyl]-1-(3-methoxypropyl)pyrrolidin-3-ol.
What is the SMILES notation for 5-[(dimethylamino)methyl]-1-(3-methoxypropyl)pyrrolidin-3-ol?
The canonical SMILES for 5-[(dimethylamino)methyl]-1-(3-methoxypropyl)pyrrolidin-3-ol is COCCCN1CC(O)CC1CN(C)C.
What is the InChIKey of 5-[(dimethylamino)methyl]-1-(3-methoxypropyl)pyrrolidin-3-ol?
The InChIKey is UTBIFNRJTZNRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-12(2)8-10-7-11(14)9-13(10)5-4-6-15-3/h10-11,14H,4-9H2,1-3H3.
What are the key properties of 5-[(dimethylamino)methyl]-1-(3-methoxypropyl)pyrrolidin-3-ol?
5-[(dimethylamino)methyl]-1-(3-methoxypropyl)pyrrolidin-3-ol has a molecular weight of 216.32 g/mol, XLogP of 0.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylamino)methyl]-1-(3-methoxypropyl)pyrrolidin-3-ol is sourced from PubChem (CID 66053960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).