4-[(dimethylamino)methyl]pyrrolidin-3-ol

C7H16N2O — CID 54386450

IUPAC4-[(dimethylamino)methyl]pyrrolidin-3-ol
SMILESCN(C)CC1CNCC1O
InChIInChI=1S/C7H16N2O/c1-9(2)5-6-3-8-4-7(6)10/h6-8,10H,3-5H2,1-2H3
InChIKeyFHRYFECFRNTABY-UHFFFAOYSA-N
MW144.22 g/mol
LogP-0.87
Rot. Bonds2

About 4-[(dimethylamino)methyl]pyrrolidin-3-ol

4-[(dimethylamino)methyl]pyrrolidin-3-ol (PubChem CID 54386450) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name4-[(dimethylamino)methyl]pyrrolidin-3-ol
PubChem CID54386450
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Name4-[(dimethylamino)methyl]pyrrolidin-3-ol
SMILESCN(C)CC1CNCC1O
InChIInChI=1S/C7H16N2O/c1-9(2)5-6-3-8-4-7(6)10/h6-8,10H,3-5H2,1-2H3
InChIKeyFHRYFECFRNTABY-UHFFFAOYSA-N
XLogP-0.87
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylamino)methyl]pyrrolidin-3-ol?
The IUPAC name of 4-[(dimethylamino)methyl]pyrrolidin-3-ol (CID 54386450) is 4-[(dimethylamino)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 4-[(dimethylamino)methyl]pyrrolidin-3-ol?
The canonical SMILES for 4-[(dimethylamino)methyl]pyrrolidin-3-ol is CN(C)CC1CNCC1O.
What is the InChIKey of 4-[(dimethylamino)methyl]pyrrolidin-3-ol?
The InChIKey is FHRYFECFRNTABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c1-9(2)5-6-3-8-4-7(6)10/h6-8,10H,3-5H2,1-2H3.
What are the key properties of 4-[(dimethylamino)methyl]pyrrolidin-3-ol?
4-[(dimethylamino)methyl]pyrrolidin-3-ol has a molecular weight of 144.22 g/mol, XLogP of -0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 54386450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).