1-(dimethylamino)-4,4-dimethylpentane-2,3-diol

C9H21NO2 — CID 58223266

IUPAC1-(dimethylamino)-4,4-dimethylpentane-2,3-diol
SMILESCN(C)CC(O)C(O)C(C)(C)C
InChIInChI=1S/C9H21NO2/c1-9(2,3)8(12)7(11)6-10(4)5/h7-8,11-12H,6H2,1-5H3
InChIKeySKDPXJLRHUMJID-UHFFFAOYSA-N
MW175.27 g/mol
LogP0.32
Rot. Bonds3

About 1-(dimethylamino)-4,4-dimethylpentane-2,3-diol

1-(dimethylamino)-4,4-dimethylpentane-2,3-diol (PubChem CID 58223266) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is 1-(dimethylamino)-4,4-dimethylpentane-2,3-diol.

Molecular Properties

Compound Name1-(dimethylamino)-4,4-dimethylpentane-2,3-diol
PubChem CID58223266
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Name1-(dimethylamino)-4,4-dimethylpentane-2,3-diol
SMILESCN(C)CC(O)C(O)C(C)(C)C
InChIInChI=1S/C9H21NO2/c1-9(2,3)8(12)7(11)6-10(4)5/h7-8,11-12H,6H2,1-5H3
InChIKeySKDPXJLRHUMJID-UHFFFAOYSA-N
XLogP0.32
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(dimethylamino)hexane-1,2,3,4,5-pentol;ethane
CID 171505184
(2R,3R,4R,5S)-6-(dimethylamino)hexane-1,2,3,4,5-pentol;hydrochloride
CID 169438924
1-(dimethylamino)-3-methylhexan-2-ol
CID 107892980
2,2,6,6-tetramethylheptane-3,4,5-triol
CID 18916262
2,2-dimethylhexadecane-3,4-diol
CID 103457111
2-tert-butyl-N',N'-dimethylpropane-1,3-diamine
CID 117242323
(3S,4S,6S)-7,7-dimethyloctane-1,3,4,5,6-pentol
CID 89370097
1-[1-(dimethylamino)propan-2-yl-ethylamino]-4,4-dimethylpentan-3-ol
CID 103191453
1-(dimethylamino)propan-2-ol;ethane-1,2-diamine
CID 174810904
(2R)-1-(dimethylamino)-3-sulfanylpropan-2-ol
CID 164542247
2-(dimethylamino)-2,4-dimethylpentan-3-ol
CID 79047510
2,2,4,6-tetramethylheptan-3-ol
CID 89214446

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-4,4-dimethylpentane-2,3-diol?
The IUPAC name of 1-(dimethylamino)-4,4-dimethylpentane-2,3-diol (CID 58223266) is 1-(dimethylamino)-4,4-dimethylpentane-2,3-diol.
What is the SMILES notation for 1-(dimethylamino)-4,4-dimethylpentane-2,3-diol?
The canonical SMILES for 1-(dimethylamino)-4,4-dimethylpentane-2,3-diol is CN(C)CC(O)C(O)C(C)(C)C.
What is the InChIKey of 1-(dimethylamino)-4,4-dimethylpentane-2,3-diol?
The InChIKey is SKDPXJLRHUMJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2/c1-9(2,3)8(12)7(11)6-10(4)5/h7-8,11-12H,6H2,1-5H3.
What are the key properties of 1-(dimethylamino)-4,4-dimethylpentane-2,3-diol?
1-(dimethylamino)-4,4-dimethylpentane-2,3-diol has a molecular weight of 175.27 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-4,4-dimethylpentane-2,3-diol is sourced from PubChem (CID 58223266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).