(2R,3R)-2-(dimethylamino)pentan-3-ol

C7H17NO — CID 59946424

IUPAC(2R,3R)-2-(dimethylamino)pentan-3-ol
SMILESCC[C@@H](O)[C@@H](C)N(C)C
InChIInChI=1S/C7H17NO/c1-5-7(9)6(2)8(3)4/h6-7,9H,5H2,1-4H3/t6-,7-/m1/s1
InChIKeyIFKPQFVTOXYXIP-RNFRBKRXSA-N
MW131.22 g/mol
LogP0.71
Rot. Bonds3

About (2R,3R)-2-(dimethylamino)pentan-3-ol

(2R,3R)-2-(dimethylamino)pentan-3-ol (PubChem CID 59946424) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is (2R,3R)-2-(dimethylamino)pentan-3-ol.

Molecular Properties

Compound Name(2R,3R)-2-(dimethylamino)pentan-3-ol
PubChem CID59946424
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC Name(2R,3R)-2-(dimethylamino)pentan-3-ol
SMILESCC[C@@H](O)[C@@H](C)N(C)C
InChIInChI=1S/C7H17NO/c1-5-7(9)6(2)8(3)4/h6-7,9H,5H2,1-4H3/t6-,7-/m1/s1
InChIKeyIFKPQFVTOXYXIP-RNFRBKRXSA-N
XLogP0.71
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3R)-2-(diethylamino)pentan-3-ol
CID 131860305
(2R,3S)-3-(dimethylamino)-1-(methylamino)butan-2-ol
CID 54087327
(2R,3S)-3-(dimethylamino)-1-[methyl(phosphanyl)amino]butan-2-ol
CID 59971907
(3R)-3-(dimethylamino)-1-(methylamino)butan-2-ol
CID 59946423
copper;4-(dimethylamino)-1,1,1-trifluoropentan-3-ol
CID 169074035
(2S,3S,4R)-hexane-2,3,4-triol
CID 91758700
(3R,4S,6R,7R)-4,6-dimethylnonane-3,5,7-triol
CID 10488429
3-methylhexane-2,4-diol
CID 22245660
1-amino-2-(dimethylamino)propan-1-ol
CID 91024973
magnesium;2-methylpentan-3-ol;dichloride
CID 175030591
(1S)-1-(dimethylamino)ethanol
CID 93477761
2-N,2-N,3-N,3-N-tetramethylbutane-2,3-diamine;hydrochloride
CID 175121214

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(dimethylamino)pentan-3-ol?
The IUPAC name of (2R,3R)-2-(dimethylamino)pentan-3-ol (CID 59946424) is (2R,3R)-2-(dimethylamino)pentan-3-ol.
What is the SMILES notation for (2R,3R)-2-(dimethylamino)pentan-3-ol?
The canonical SMILES for (2R,3R)-2-(dimethylamino)pentan-3-ol is CC[C@@H](O)[C@@H](C)N(C)C.
What is the InChIKey of (2R,3R)-2-(dimethylamino)pentan-3-ol?
The InChIKey is IFKPQFVTOXYXIP-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H17NO/c1-5-7(9)6(2)8(3)4/h6-7,9H,5H2,1-4H3/t6-,7-/m1/s1.
What are the key properties of (2R,3R)-2-(dimethylamino)pentan-3-ol?
(2R,3R)-2-(dimethylamino)pentan-3-ol has a molecular weight of 131.22 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(dimethylamino)pentan-3-ol is sourced from PubChem (CID 59946424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).