(2S)-1-[[bis[(2R)-2-hydroxypropyl]amino]-[(2S)-2-hydroxypropyl]amino]propan-2-ol

C12H28N2O4 — CID 92557045

IUPAC(2S)-1-[[bis[(2R)-2-hydroxypropyl]amino]-[(2S)-2-hydroxypropyl]amino]propan-2-ol
SMILESC[C@H](O)CN(C[C@H](C)O)N(C[C@@H](C)O)C[C@@H](C)O
InChIInChI=1S/C12H28N2O4/c1-9(15)5-13(6-10(2)16)14(7-11(3)17)8-12(4)18/h9-12,15-18H,5-8H2,1-4H3/t9-,10-,11+,12+
InChIKeyDVFGCEWIQXYMCX-HUVAQWKNSA-N
MW264.37 g/mol
LogP-0.97
Rot. Bonds9

About (2S)-1-[[bis[(2R)-2-hydroxypropyl]amino]-[(2S)-2-hydroxypropyl]amino]propan-2-ol

(2S)-1-[[bis[(2R)-2-hydroxypropyl]amino]-[(2S)-2-hydroxypropyl]amino]propan-2-ol (PubChem CID 92557045) has the molecular formula C12H28N2O4 and a molecular weight of 264.37 g/mol. Its IUPAC name is (2S)-1-[[bis[(2R)-2-hydroxypropyl]amino]-[(2S)-2-hydroxypropyl]amino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[[bis[(2R)-2-hydroxypropyl]amino]-[(2S)-2-hydroxypropyl]amino]propan-2-ol
PubChem CID92557045
Molecular FormulaC12H28N2O4
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name(2S)-1-[[bis[(2R)-2-hydroxypropyl]amino]-[(2S)-2-hydroxypropyl]amino]propan-2-ol
SMILESC[C@H](O)CN(C[C@H](C)O)N(C[C@@H](C)O)C[C@@H](C)O
InChIInChI=1S/C12H28N2O4/c1-9(15)5-13(6-10(2)16)14(7-11(3)17)8-12(4)18/h9-12,15-18H,5-8H2,1-4H3/t9-,10-,11+,12+
InChIKeyDVFGCEWIQXYMCX-HUVAQWKNSA-N
XLogP-0.97
TPSA87.40 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 5-0.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2S)-1-[[bis[(2R)-2-hydroxypropyl]amino]-[(2S)-2-hydroxypropyl]amino]propan-2-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

(2S)-1-[amino(methyl)amino]propan-2-ol
CID 124512357
1-[[2-hydroxypropyl(methyl)amino]methyl-methylamino]propan-2-ol
CID 20820329
(2S)-1-[methyl(propan-2-yl)amino]propan-2-ol
CID 93346500
1-[2-hydroxyprop-2-enyl(2-hydroxypropyl)amino]propan-2-ol
CID 163906636
1-[ethyl(hydroxymethyl)amino]propan-2-ol
CID 22642430
1-[(ethylideneamino)-(2-hydroxypropyl)amino]propan-2-ol
CID 171780139
1-[bis(trideuteriomethyl)amino]propan-2-ol
CID 121487893
1-(dimethylamino)propan-2-ol;ethane-1,2-diamine
CID 174810904
(2R)-1-[methyl-[2-(methylamino)ethyl]amino]propan-2-ol
CID 103668529
1-[methyl-[2-(methylamino)ethyl]amino]propan-2-ol
CID 62337944
1-[hydroxymethyl(propyl)amino]propan-2-ol
CID 22642440
(2S)-1-[2-hydroxyethyl-[(2R)-2-hydroxypropyl]amino]propan-2-ol
CID 6950665

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[bis[(2R)-2-hydroxypropyl]amino]-[(2S)-2-hydroxypropyl]amino]propan-2-ol?
The IUPAC name of (2S)-1-[[bis[(2R)-2-hydroxypropyl]amino]-[(2S)-2-hydroxypropyl]amino]propan-2-ol (CID 92557045) is (2S)-1-[[bis[(2R)-2-hydroxypropyl]amino]-[(2S)-2-hydroxypropyl]amino]propan-2-ol.
What is the SMILES notation for (2S)-1-[[bis[(2R)-2-hydroxypropyl]amino]-[(2S)-2-hydroxypropyl]amino]propan-2-ol?
The canonical SMILES for (2S)-1-[[bis[(2R)-2-hydroxypropyl]amino]-[(2S)-2-hydroxypropyl]amino]propan-2-ol is C[C@H](O)CN(C[C@H](C)O)N(C[C@@H](C)O)C[C@@H](C)O.
What is the InChIKey of (2S)-1-[[bis[(2R)-2-hydroxypropyl]amino]-[(2S)-2-hydroxypropyl]amino]propan-2-ol?
The InChIKey is DVFGCEWIQXYMCX-HUVAQWKNSA-N. The full InChI is InChI=1S/C12H28N2O4/c1-9(15)5-13(6-10(2)16)14(7-11(3)17)8-12(4)18/h9-12,15-18H,5-8H2,1-4H3/t9-,10-,11+,12+.
What are the key properties of (2S)-1-[[bis[(2R)-2-hydroxypropyl]amino]-[(2S)-2-hydroxypropyl]amino]propan-2-ol?
(2S)-1-[[bis[(2R)-2-hydroxypropyl]amino]-[(2S)-2-hydroxypropyl]amino]propan-2-ol has a molecular weight of 264.37 g/mol, XLogP of -0.97, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[bis[(2R)-2-hydroxypropyl]amino]-[(2S)-2-hydroxypropyl]amino]propan-2-ol is sourced from PubChem (CID 92557045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).