3-[[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]methyl]pentan-3-ol

C13H28N2O2 — CID 65111953

IUPAC3-[[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNCC(O)CN1CCCC1
InChIInChI=1S/C13H28N2O2/c1-3-13(17,4-2)11-14-9-12(16)10-15-7-5-6-8-15/h12,14,16-17H,3-11H2,1-2H3
InChIKeyNIJQUZZQHDONOM-UHFFFAOYSA-N
MW244.38 g/mol
LogP0.58
Rot. Bonds8

About 3-[[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]methyl]pentan-3-ol

3-[[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]methyl]pentan-3-ol (PubChem CID 65111953) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 3-[[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]methyl]pentan-3-ol
PubChem CID65111953
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name3-[[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNCC(O)CN1CCCC1
InChIInChI=1S/C13H28N2O2/c1-3-13(17,4-2)11-14-9-12(16)10-15-7-5-6-8-15/h12,14,16-17H,3-11H2,1-2H3
InChIKeyNIJQUZZQHDONOM-UHFFFAOYSA-N
XLogP0.58
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]methyl]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

Related Compounds

1-(2-methylbutylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 62692013
N-[1-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 63858980
N-tert-butyl-2-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]acetamide
CID 115356372
2-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-N-methylacetamide
CID 60901241
3-[[(3-cyclopentyloxy-2-hydroxypropyl)amino]methyl]pentan-3-ol
CID 65111381
4-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-3-methylbutan-1-ol
CID 66106831
1-(2-propan-2-yloxyethylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 104760072
1,3-dipyrrolidin-1-ylpropan-2-ol
CID 57126359
2-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-2-methylpropan-1-ol
CID 60909717
1-(azonan-1-yl)butan-2-ol
CID 130671766
N,N-diethyl-3-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]propanamide
CID 112685123
1-(ethylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol
CID 62775672

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]methyl]pentan-3-ol?
The IUPAC name of 3-[[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]methyl]pentan-3-ol (CID 65111953) is 3-[[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]methyl]pentan-3-ol is CCC(O)(CC)CNCC(O)CN1CCCC1.
What is the InChIKey of 3-[[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]methyl]pentan-3-ol?
The InChIKey is NIJQUZZQHDONOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-3-13(17,4-2)11-14-9-12(16)10-15-7-5-6-8-15/h12,14,16-17H,3-11H2,1-2H3.
What are the key properties of 3-[[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]methyl]pentan-3-ol?
3-[[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]methyl]pentan-3-ol has a molecular weight of 244.38 g/mol, XLogP of 0.58, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]methyl]pentan-3-ol is sourced from PubChem (CID 65111953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).