1-[[(2R)-2-hydroxypropyl]amino]-2,4-dimethylpentan-2-ol

C10H23NO2 — CID 106932260

IUPAC1-[[(2R)-2-hydroxypropyl]amino]-2,4-dimethylpentan-2-ol
SMILESCC(C)CC(C)(O)CNC[C@@H](C)O
InChIInChI=1S/C10H23NO2/c1-8(2)5-10(4,13)7-11-6-9(3)12/h8-9,11-13H,5-7H2,1-4H3/t9-,10?/m1/s1
InChIKeyYWLFBUNFHGBBMD-YHMJZVADSA-N
MW189.30 g/mol
LogP0.75
Rot. Bonds6

About 1-[[(2R)-2-hydroxypropyl]amino]-2,4-dimethylpentan-2-ol

1-[[(2R)-2-hydroxypropyl]amino]-2,4-dimethylpentan-2-ol (PubChem CID 106932260) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is 1-[[(2R)-2-hydroxypropyl]amino]-2,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-[[(2R)-2-hydroxypropyl]amino]-2,4-dimethylpentan-2-ol
PubChem CID106932260
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Name1-[[(2R)-2-hydroxypropyl]amino]-2,4-dimethylpentan-2-ol
SMILESCC(C)CC(C)(O)CNC[C@@H](C)O
InChIInChI=1S/C10H23NO2/c1-8(2)5-10(4,13)7-11-6-9(3)12/h8-9,11-13H,5-7H2,1-4H3/t9-,10?/m1/s1
InChIKeyYWLFBUNFHGBBMD-YHMJZVADSA-N
XLogP0.75
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(dimethylamino)-3-[[(2R)-2-hydroxypropyl]amino]-2-methylpropan-2-ol
CID 106147817
1-[[3-(diethylamino)-2-hydroxypropyl]amino]-2,4-dimethylpentan-2-ol
CID 66173067
1-(2,2-dimethylpropylamino)propan-2-ol
CID 21304828
2-[(2-hydroxy-2,4-dimethylpentyl)amino]acetic acid
CID 66178823
N-(2-hydroxy-2,4-dimethylpentyl)formamide
CID 66180858
1-[[2-(hydroxymethyl)-2-methylbutyl]amino]-2,4-dimethylpentan-2-ol
CID 81418868
3-[(2-hydroxy-2,4-dimethylpentyl)amino]propanenitrile
CID 66174666
2,4-dimethyl-1-[(2,4,5-trimethylphenyl)methylamino]pentan-2-ol
CID 66178191
(2R)-1-[(2-methoxy-2-methylpropyl)amino]propan-2-ol
CID 106932513
1-[(2-aminophenyl)methylamino]-2,4-dimethylpentan-2-ol
CID 66417504
(2R)-1-(2-methylpropylamino)propan-2-ol
CID 777887
1-(2-hydroxypropylamino)propan-2-ol;zinc
CID 175137712

Frequently Asked Questions

What is the IUPAC name of 1-[[(2R)-2-hydroxypropyl]amino]-2,4-dimethylpentan-2-ol?
The IUPAC name of 1-[[(2R)-2-hydroxypropyl]amino]-2,4-dimethylpentan-2-ol (CID 106932260) is 1-[[(2R)-2-hydroxypropyl]amino]-2,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-[[(2R)-2-hydroxypropyl]amino]-2,4-dimethylpentan-2-ol?
The canonical SMILES for 1-[[(2R)-2-hydroxypropyl]amino]-2,4-dimethylpentan-2-ol is CC(C)CC(C)(O)CNC[C@@H](C)O.
What is the InChIKey of 1-[[(2R)-2-hydroxypropyl]amino]-2,4-dimethylpentan-2-ol?
The InChIKey is YWLFBUNFHGBBMD-YHMJZVADSA-N. The full InChI is InChI=1S/C10H23NO2/c1-8(2)5-10(4,13)7-11-6-9(3)12/h8-9,11-13H,5-7H2,1-4H3/t9-,10?/m1/s1.
What are the key properties of 1-[[(2R)-2-hydroxypropyl]amino]-2,4-dimethylpentan-2-ol?
1-[[(2R)-2-hydroxypropyl]amino]-2,4-dimethylpentan-2-ol has a molecular weight of 189.30 g/mol, XLogP of 0.75, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R)-2-hydroxypropyl]amino]-2,4-dimethylpentan-2-ol is sourced from PubChem (CID 106932260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).