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

C9H21NO3 — CID 10886979

IUPAC(2S)-1-[bis[(2S)-2-hydroxypropyl]amino]propan-2-ol
SMILESC[C@H](O)CN(C[C@H](C)O)C[C@H](C)O
InChIInChI=1S/C9H21NO3/c1-7(11)4-10(5-8(2)12)6-9(3)13/h7-9,11-13H,4-6H2,1-3H3/t7-,8-,9-/m0/s1
InChIKeySLINHMUFWFWBMU-CIUDSAMLSA-N
MW191.27 g/mol
LogP-0.57
Rot. Bonds6

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

(2S)-1-[bis[(2S)-2-hydroxypropyl]amino]propan-2-ol (PubChem CID 10886979) has the molecular formula C9H21NO3 and a molecular weight of 191.27 g/mol. Its IUPAC name is (2S)-1-[bis[(2S)-2-hydroxypropyl]amino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[bis[(2S)-2-hydroxypropyl]amino]propan-2-ol
PubChem CID10886979
Molecular FormulaC9H21NO3
Molecular Weight191.27 g/mol
Exact Mass191.15
IUPAC Name(2S)-1-[bis[(2S)-2-hydroxypropyl]amino]propan-2-ol
SMILESC[C@H](O)CN(C[C@H](C)O)C[C@H](C)O
InChIInChI=1S/C9H21NO3/c1-7(11)4-10(5-8(2)12)6-9(3)13/h7-9,11-13H,4-6H2,1-3H3/t7-,8-,9-/m0/s1
InChIKeySLINHMUFWFWBMU-CIUDSAMLSA-N
XLogP-0.57
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[bis[(2S)-2-hydroxypropyl]amino]propan-2-ol?
The IUPAC name of (2S)-1-[bis[(2S)-2-hydroxypropyl]amino]propan-2-ol (CID 10886979) is (2S)-1-[bis[(2S)-2-hydroxypropyl]amino]propan-2-ol.
What is the SMILES notation for (2S)-1-[bis[(2S)-2-hydroxypropyl]amino]propan-2-ol?
The canonical SMILES for (2S)-1-[bis[(2S)-2-hydroxypropyl]amino]propan-2-ol is C[C@H](O)CN(C[C@H](C)O)C[C@H](C)O.
What is the InChIKey of (2S)-1-[bis[(2S)-2-hydroxypropyl]amino]propan-2-ol?
The InChIKey is SLINHMUFWFWBMU-CIUDSAMLSA-N. The full InChI is InChI=1S/C9H21NO3/c1-7(11)4-10(5-8(2)12)6-9(3)13/h7-9,11-13H,4-6H2,1-3H3/t7-,8-,9-/m0/s1.
What are the key properties of (2S)-1-[bis[(2S)-2-hydroxypropyl]amino]propan-2-ol?
(2S)-1-[bis[(2S)-2-hydroxypropyl]amino]propan-2-ol has a molecular weight of 191.27 g/mol, XLogP of -0.57, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[bis[(2S)-2-hydroxypropyl]amino]propan-2-ol is sourced from PubChem (CID 10886979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).