3-[(2,5-dimethylpyrrolidin-1-yl)methyl]-1-(methylamino)pentan-3-ol

C13H28N2O — CID 145044539

IUPAC3-[(2,5-dimethylpyrrolidin-1-yl)methyl]-1-(methylamino)pentan-3-ol
SMILESCCC(O)(CCNC)CN1C(C)CCC1C
InChIInChI=1S/C13H28N2O/c1-5-13(16,8-9-14-4)10-15-11(2)6-7-12(15)3/h11-12,14,16H,5-10H2,1-4H3
InChIKeyWVARFUDKFXEEFQ-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.61
Rot. Bonds6

About 3-[(2,5-dimethylpyrrolidin-1-yl)methyl]-1-(methylamino)pentan-3-ol

3-[(2,5-dimethylpyrrolidin-1-yl)methyl]-1-(methylamino)pentan-3-ol (PubChem CID 145044539) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 3-[(2,5-dimethylpyrrolidin-1-yl)methyl]-1-(methylamino)pentan-3-ol.

Molecular Properties

Compound Name3-[(2,5-dimethylpyrrolidin-1-yl)methyl]-1-(methylamino)pentan-3-ol
PubChem CID145044539
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name3-[(2,5-dimethylpyrrolidin-1-yl)methyl]-1-(methylamino)pentan-3-ol
SMILESCCC(O)(CCNC)CN1C(C)CCC1C
InChIInChI=1S/C13H28N2O/c1-5-13(16,8-9-14-4)10-15-11(2)6-7-12(15)3/h11-12,14,16H,5-10H2,1-4H3
InChIKeyWVARFUDKFXEEFQ-UHFFFAOYSA-N
XLogP1.61
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(2,5-dimethylpyrrolidin-1-yl)methyl]-1-(methylamino)pentan-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 3-[(2,5-dimethylpyrrolidin-1-yl)methyl]-1-(methylamino)pentan-3-ol?
The IUPAC name of 3-[(2,5-dimethylpyrrolidin-1-yl)methyl]-1-(methylamino)pentan-3-ol (CID 145044539) is 3-[(2,5-dimethylpyrrolidin-1-yl)methyl]-1-(methylamino)pentan-3-ol.
What is the SMILES notation for 3-[(2,5-dimethylpyrrolidin-1-yl)methyl]-1-(methylamino)pentan-3-ol?
The canonical SMILES for 3-[(2,5-dimethylpyrrolidin-1-yl)methyl]-1-(methylamino)pentan-3-ol is CCC(O)(CCNC)CN1C(C)CCC1C.
What is the InChIKey of 3-[(2,5-dimethylpyrrolidin-1-yl)methyl]-1-(methylamino)pentan-3-ol?
The InChIKey is WVARFUDKFXEEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-5-13(16,8-9-14-4)10-15-11(2)6-7-12(15)3/h11-12,14,16H,5-10H2,1-4H3.
What are the key properties of 3-[(2,5-dimethylpyrrolidin-1-yl)methyl]-1-(methylamino)pentan-3-ol?
3-[(2,5-dimethylpyrrolidin-1-yl)methyl]-1-(methylamino)pentan-3-ol has a molecular weight of 228.38 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethylpyrrolidin-1-yl)methyl]-1-(methylamino)pentan-3-ol is sourced from PubChem (CID 145044539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).