(2S)-3-(2-propan-2-yloxyethylamino)propane-1,2-diol

C8H19NO3 — CID 104760155

IUPAC(2S)-3-(2-propan-2-yloxyethylamino)propane-1,2-diol
SMILESCC(C)OCCNC[C@H](O)CO
InChIInChI=1S/C8H19NO3/c1-7(2)12-4-3-9-5-8(11)6-10/h7-11H,3-6H2,1-2H3/t8-/m0/s1
InChIKeyRHQPWCGSQIRZSO-QMMMGPOBSA-N
MW177.24 g/mol
LogP-0.65
Rot. Bonds7

About (2S)-3-(2-propan-2-yloxyethylamino)propane-1,2-diol

(2S)-3-(2-propan-2-yloxyethylamino)propane-1,2-diol (PubChem CID 104760155) has the molecular formula C8H19NO3 and a molecular weight of 177.24 g/mol. Its IUPAC name is (2S)-3-(2-propan-2-yloxyethylamino)propane-1,2-diol.

Molecular Properties

Compound Name(2S)-3-(2-propan-2-yloxyethylamino)propane-1,2-diol
PubChem CID104760155
Molecular FormulaC8H19NO3
Molecular Weight177.24 g/mol
Exact Mass177.14
IUPAC Name(2S)-3-(2-propan-2-yloxyethylamino)propane-1,2-diol
SMILESCC(C)OCCNC[C@H](O)CO
InChIInChI=1S/C8H19NO3/c1-7(2)12-4-3-9-5-8(11)6-10/h7-11H,3-6H2,1-2H3/t8-/m0/s1
InChIKeyRHQPWCGSQIRZSO-QMMMGPOBSA-N
XLogP-0.65
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.24
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-4-(2-propan-2-yloxyethylamino)butan-1-ol
CID 66109201
1,1,1-trifluoro-3-(2-propan-2-yloxyethylamino)propan-2-ol
CID 104760283
3-ethyl-1-(2-propan-2-yloxyethylamino)pentan-2-ol
CID 106285645
1-(4-methylpentan-2-yloxy)-3-(2-propan-2-yloxyethylamino)propan-2-ol
CID 104760276
1-cyclopentyl-3-(2-propan-2-yloxyethylamino)propan-2-ol
CID 103158287
2,3-dimethyl-N-(2-propan-2-yloxyethyl)butan-1-amine
CID 64571150
1-(2-propan-2-yloxyethylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 104760072
(2S)-3-[2-[methyl(propan-2-yl)amino]ethylamino]propane-1,2-diol
CID 62641406
(2R)-3-[[(2S)-2,3-dihydroxypropyl]amino]propane-1,2-diol
CID 93482173
5-[(2-hydroxy-3-propan-2-yloxypropyl)amino]-2-methylpentan-1-ol
CID 106160001
2-[[(2S)-2,3-dihydroxypropyl]amino]ethyl 2-methylprop-2-enoate
CID 163863615
1-methoxy-3-(4-propan-2-yloxybutylamino)propan-2-ol
CID 106010384

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(2-propan-2-yloxyethylamino)propane-1,2-diol?
The IUPAC name of (2S)-3-(2-propan-2-yloxyethylamino)propane-1,2-diol (CID 104760155) is (2S)-3-(2-propan-2-yloxyethylamino)propane-1,2-diol.
What is the SMILES notation for (2S)-3-(2-propan-2-yloxyethylamino)propane-1,2-diol?
The canonical SMILES for (2S)-3-(2-propan-2-yloxyethylamino)propane-1,2-diol is CC(C)OCCNC[C@H](O)CO.
What is the InChIKey of (2S)-3-(2-propan-2-yloxyethylamino)propane-1,2-diol?
The InChIKey is RHQPWCGSQIRZSO-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H19NO3/c1-7(2)12-4-3-9-5-8(11)6-10/h7-11H,3-6H2,1-2H3/t8-/m0/s1.
What are the key properties of (2S)-3-(2-propan-2-yloxyethylamino)propane-1,2-diol?
(2S)-3-(2-propan-2-yloxyethylamino)propane-1,2-diol has a molecular weight of 177.24 g/mol, XLogP of -0.65, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(2-propan-2-yloxyethylamino)propane-1,2-diol is sourced from PubChem (CID 104760155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).