(2R)-1-(2,4-dimethylpyrrolidin-1-yl)butan-2-ol

C10H21NO — CID 130161396

IUPAC(2R)-1-(2,4-dimethylpyrrolidin-1-yl)butan-2-ol
SMILESCC[C@@H](O)CN1CC(C)CC1C
InChIInChI=1S/C10H21NO/c1-4-10(12)7-11-6-8(2)5-9(11)3/h8-10,12H,4-7H2,1-3H3/t8?,9?,10-/m1/s1
InChIKeyGMNCTMJGTGAERB-UDNWOFFPSA-N
MW171.28 g/mol
LogP1.49
Rot. Bonds3

About (2R)-1-(2,4-dimethylpyrrolidin-1-yl)butan-2-ol

(2R)-1-(2,4-dimethylpyrrolidin-1-yl)butan-2-ol (PubChem CID 130161396) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is (2R)-1-(2,4-dimethylpyrrolidin-1-yl)butan-2-ol.

Molecular Properties

Compound Name(2R)-1-(2,4-dimethylpyrrolidin-1-yl)butan-2-ol
PubChem CID130161396
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name(2R)-1-(2,4-dimethylpyrrolidin-1-yl)butan-2-ol
SMILESCC[C@@H](O)CN1CC(C)CC1C
InChIInChI=1S/C10H21NO/c1-4-10(12)7-11-6-8(2)5-9(11)3/h8-10,12H,4-7H2,1-3H3/t8?,9?,10-/m1/s1
InChIKeyGMNCTMJGTGAERB-UDNWOFFPSA-N
XLogP1.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-(2,3-dimethylpyrrolidin-1-yl)butan-2-ol
CID 130679423
N-[3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-4-propylbenzenesulfonamide
CID 69368073
N-[(2R)-3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-3-fluorobenzenesulfonamide
CID 69367217
N-[(2R)-3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-2,4,6-trimethylbenzenesulfonamide
CID 69367197
(2S)-1-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)butan-2-ol
CID 130875116
N-[3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-2-(trifluoromethyl)benzenesulfonamide
CID 69366997
2,4-dimethyl-1-(3-methylbut-2-enyl)pyrrolidine
CID 126995395
1-(3,4-dimethylpiperazin-1-yl)butan-2-ol
CID 63633779
1-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxybutan-1-one
CID 130711049
1-(2-hydroxybutyl)-4-methylpyrrolidin-2-one
CID 63100793
1-piperazin-1-yl-3-(2,3,5-trimethylpiperidin-1-yl)propan-2-ol
CID 114593450
N-[(2S)-3-(2,4-dimethylpyrrolidin-1-yl)-2-hydroxypropyl]-3-methylbenzenesulfonamide
CID 69369504

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2,4-dimethylpyrrolidin-1-yl)butan-2-ol?
The IUPAC name of (2R)-1-(2,4-dimethylpyrrolidin-1-yl)butan-2-ol (CID 130161396) is (2R)-1-(2,4-dimethylpyrrolidin-1-yl)butan-2-ol.
What is the SMILES notation for (2R)-1-(2,4-dimethylpyrrolidin-1-yl)butan-2-ol?
The canonical SMILES for (2R)-1-(2,4-dimethylpyrrolidin-1-yl)butan-2-ol is CC[C@@H](O)CN1CC(C)CC1C.
What is the InChIKey of (2R)-1-(2,4-dimethylpyrrolidin-1-yl)butan-2-ol?
The InChIKey is GMNCTMJGTGAERB-UDNWOFFPSA-N. The full InChI is InChI=1S/C10H21NO/c1-4-10(12)7-11-6-8(2)5-9(11)3/h8-10,12H,4-7H2,1-3H3/t8?,9?,10-/m1/s1.
What are the key properties of (2R)-1-(2,4-dimethylpyrrolidin-1-yl)butan-2-ol?
(2R)-1-(2,4-dimethylpyrrolidin-1-yl)butan-2-ol has a molecular weight of 171.28 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2,4-dimethylpyrrolidin-1-yl)butan-2-ol is sourced from PubChem (CID 130161396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).