1-(3-amino-2-hydroxypropyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol

C10H23N3O2 — CID 104643439

IUPAC1-(3-amino-2-hydroxypropyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
SMILESCN(C)CC1CC(O)CN1CC(O)CN
InChIInChI=1S/C10H23N3O2/c1-12(2)5-8-3-9(14)6-13(8)7-10(15)4-11/h8-10,14-15H,3-7,11H2,1-2H3
InChIKeyCJDBEBXVCQGTOV-UHFFFAOYSA-N
MW217.31 g/mol
LogP-1.70
Rot. Bonds5

About 1-(3-amino-2-hydroxypropyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol

1-(3-amino-2-hydroxypropyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol (PubChem CID 104643439) has the molecular formula C10H23N3O2 and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-(3-amino-2-hydroxypropyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(3-amino-2-hydroxypropyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
PubChem CID104643439
Molecular FormulaC10H23N3O2
Molecular Weight217.31 g/mol
Exact Mass217.18
IUPAC Name1-(3-amino-2-hydroxypropyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
SMILESCN(C)CC1CC(O)CN1CC(O)CN
InChIInChI=1S/C10H23N3O2/c1-12(2)5-8-3-9(14)6-13(8)7-10(15)4-11/h8-10,14-15H,3-7,11H2,1-2H3
InChIKeyCJDBEBXVCQGTOV-UHFFFAOYSA-N
XLogP-1.70
TPSA72.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 5-1.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-(3-amino-2-hydroxypropyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2-hydroxypropyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The IUPAC name of 1-(3-amino-2-hydroxypropyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol (CID 104643439) is 1-(3-amino-2-hydroxypropyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-(3-amino-2-hydroxypropyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-(3-amino-2-hydroxypropyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol is CN(C)CC1CC(O)CN1CC(O)CN.
What is the InChIKey of 1-(3-amino-2-hydroxypropyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The InChIKey is CJDBEBXVCQGTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O2/c1-12(2)5-8-3-9(14)6-13(8)7-10(15)4-11/h8-10,14-15H,3-7,11H2,1-2H3.
What are the key properties of 1-(3-amino-2-hydroxypropyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
1-(3-amino-2-hydroxypropyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol has a molecular weight of 217.31 g/mol, XLogP of -1.70, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2-hydroxypropyl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 104643439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).