(2S)-2-[2-[[(2S)-1-hydroxypropan-2-yl]amino]ethylamino]propan-1-ol

C8H20N2O2 — CID 5482418

IUPAC(2S)-2-[2-[[(2S)-1-hydroxypropan-2-yl]amino]ethylamino]propan-1-ol
SMILESC[C@@H](CO)NCCN[C@@H](C)CO
InChIInChI=1S/C8H20N2O2/c1-7(5-11)9-3-4-10-8(2)6-12/h7-12H,3-6H2,1-2H3/t7-,8-/m0/s1
InChIKeyOKECRAQEHRBANL-YUMQZZPRSA-N
MW176.26 g/mol
LogP-1.07
Rot. Bonds7

About (2S)-2-[2-[[(2S)-1-hydroxypropan-2-yl]amino]ethylamino]propan-1-ol

(2S)-2-[2-[[(2S)-1-hydroxypropan-2-yl]amino]ethylamino]propan-1-ol (PubChem CID 5482418) has the molecular formula C8H20N2O2 and a molecular weight of 176.26 g/mol. Its IUPAC name is (2S)-2-[2-[[(2S)-1-hydroxypropan-2-yl]amino]ethylamino]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-[2-[[(2S)-1-hydroxypropan-2-yl]amino]ethylamino]propan-1-ol
PubChem CID5482418
Molecular FormulaC8H20N2O2
Molecular Weight176.26 g/mol
Exact Mass176.15
IUPAC Name(2S)-2-[2-[[(2S)-1-hydroxypropan-2-yl]amino]ethylamino]propan-1-ol
SMILESC[C@@H](CO)NCCN[C@@H](C)CO
InChIInChI=1S/C8H20N2O2/c1-7(5-11)9-3-4-10-8(2)6-12/h7-12H,3-6H2,1-2H3/t7-,8-/m0/s1
InChIKeyOKECRAQEHRBANL-YUMQZZPRSA-N
XLogP-1.07
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 5-1.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-[[(2S)-1-hydroxypropan-2-yl]amino]ethylamino]propan-1-ol?
The IUPAC name of (2S)-2-[2-[[(2S)-1-hydroxypropan-2-yl]amino]ethylamino]propan-1-ol (CID 5482418) is (2S)-2-[2-[[(2S)-1-hydroxypropan-2-yl]amino]ethylamino]propan-1-ol.
What is the SMILES notation for (2S)-2-[2-[[(2S)-1-hydroxypropan-2-yl]amino]ethylamino]propan-1-ol?
The canonical SMILES for (2S)-2-[2-[[(2S)-1-hydroxypropan-2-yl]amino]ethylamino]propan-1-ol is C[C@@H](CO)NCCN[C@@H](C)CO.
What is the InChIKey of (2S)-2-[2-[[(2S)-1-hydroxypropan-2-yl]amino]ethylamino]propan-1-ol?
The InChIKey is OKECRAQEHRBANL-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H20N2O2/c1-7(5-11)9-3-4-10-8(2)6-12/h7-12H,3-6H2,1-2H3/t7-,8-/m0/s1.
What are the key properties of (2S)-2-[2-[[(2S)-1-hydroxypropan-2-yl]amino]ethylamino]propan-1-ol?
(2S)-2-[2-[[(2S)-1-hydroxypropan-2-yl]amino]ethylamino]propan-1-ol has a molecular weight of 176.26 g/mol, XLogP of -1.07, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-[[(2S)-1-hydroxypropan-2-yl]amino]ethylamino]propan-1-ol is sourced from PubChem (CID 5482418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).