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

C7H17NO2 — CID 93483386

IUPAC(2S)-2-[2-hydroxypropan-2-yl(methyl)amino]propan-1-ol
SMILESC[C@@H](CO)N(C)C(C)(C)O
InChIInChI=1S/C7H17NO2/c1-6(5-9)8(4)7(2,3)10/h6,9-10H,5H2,1-4H3/t6-/m0/s1
InChIKeyGVPYQCRHYGKPDX-LURJTMIESA-N
MW147.22 g/mol
LogP0.03
Rot. Bonds3

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

(2S)-2-[2-hydroxypropan-2-yl(methyl)amino]propan-1-ol (PubChem CID 93483386) has the molecular formula C7H17NO2 and a molecular weight of 147.22 g/mol. Its IUPAC name is (2S)-2-[2-hydroxypropan-2-yl(methyl)amino]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-[2-hydroxypropan-2-yl(methyl)amino]propan-1-ol
PubChem CID93483386
Molecular FormulaC7H17NO2
Molecular Weight147.22 g/mol
Exact Mass147.13
IUPAC Name(2S)-2-[2-hydroxypropan-2-yl(methyl)amino]propan-1-ol
SMILESC[C@@H](CO)N(C)C(C)(C)O
InChIInChI=1S/C7H17NO2/c1-6(5-9)8(4)7(2,3)10/h6,9-10H,5H2,1-4H3/t6-/m0/s1
InChIKeyGVPYQCRHYGKPDX-LURJTMIESA-N
XLogP0.03
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[[1-hydroxypropan-2-yl(methyl)amino]methyl]-2-methylpropane-1,3-diol
CID 104553558
hydroxy-[1-hydroxypropan-2-yl(methyl)amino]azanium
CID 144890073
2-[tert-butyl(ethyl)amino]propan-1-ol
CID 131224515
2-amino-N-(1-hydroxypropan-2-yl)-N,3,3-trimethylbutanamide
CID 104551690
N-[(2R)-1-hydroxypropan-2-yl]-N-methylmethanesulfonamide
CID 127001380
N-butan-2-yl-N-methylbutan-2-amine;2-methylpropane-1,2-diol
CID 19889994
N-(1-hydroxypropan-2-yl)-N-methylmethanesulfonamide
CID 87281445
N-(1-hydroxypropan-2-yl)-N,2,2-trimethylbutanamide
CID 104553489
2-[(2,3-dihydroxy-2-methylpropyl)amino]-N,N-dimethylpropanamide
CID 66187164
tert-butyl N-[(2R)-1-hydroxypropan-2-yl]-N-methylcarbamate
CID 131045912
2,2-dimethylpropane;2-methylpropan-1-ol
CID 158369394
(2S,3R)-2,3-dimethylpentane-1,3-diol
CID 15314348

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-hydroxypropan-2-yl(methyl)amino]propan-1-ol?
The IUPAC name of (2S)-2-[2-hydroxypropan-2-yl(methyl)amino]propan-1-ol (CID 93483386) is (2S)-2-[2-hydroxypropan-2-yl(methyl)amino]propan-1-ol.
What is the SMILES notation for (2S)-2-[2-hydroxypropan-2-yl(methyl)amino]propan-1-ol?
The canonical SMILES for (2S)-2-[2-hydroxypropan-2-yl(methyl)amino]propan-1-ol is C[C@@H](CO)N(C)C(C)(C)O.
What is the InChIKey of (2S)-2-[2-hydroxypropan-2-yl(methyl)amino]propan-1-ol?
The InChIKey is GVPYQCRHYGKPDX-LURJTMIESA-N. The full InChI is InChI=1S/C7H17NO2/c1-6(5-9)8(4)7(2,3)10/h6,9-10H,5H2,1-4H3/t6-/m0/s1.
What are the key properties of (2S)-2-[2-hydroxypropan-2-yl(methyl)amino]propan-1-ol?
(2S)-2-[2-hydroxypropan-2-yl(methyl)amino]propan-1-ol has a molecular weight of 147.22 g/mol, XLogP of 0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-hydroxypropan-2-yl(methyl)amino]propan-1-ol is sourced from PubChem (CID 93483386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).