(3S,4R)-4-(diethylamino)pyrrolidin-3-ol

C8H18N2O — CID 129371186

IUPAC(3S,4R)-4-(diethylamino)pyrrolidin-3-ol
SMILESCCN(CC)[C@@H]1CNC[C@@H]1O
InChIInChI=1S/C8H18N2O/c1-3-10(4-2)7-5-9-6-8(7)11/h7-9,11H,3-6H2,1-2H3/t7-,8+/m1/s1
InChIKeyCRJZNLPZVWDLHH-SFYZADRCSA-N
MW158.25 g/mol
LogP-0.34
Rot. Bonds3

About (3S,4R)-4-(diethylamino)pyrrolidin-3-ol

(3S,4R)-4-(diethylamino)pyrrolidin-3-ol (PubChem CID 129371186) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is (3S,4R)-4-(diethylamino)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-(diethylamino)pyrrolidin-3-ol
PubChem CID129371186
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC Name(3S,4R)-4-(diethylamino)pyrrolidin-3-ol
SMILESCCN(CC)[C@@H]1CNC[C@@H]1O
InChIInChI=1S/C8H18N2O/c1-3-10(4-2)7-5-9-6-8(7)11/h7-9,11H,3-6H2,1-2H3/t7-,8+/m1/s1
InChIKeyCRJZNLPZVWDLHH-SFYZADRCSA-N
XLogP-0.34
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[ethyl(2-methylpropyl)amino]pyrrolidin-3-ol
CID 63701583
(3R,4R)-4-[butyl(ethyl)amino]pyrrolidin-3-ol
CID 126847057
4-[bis(2-methylpropyl)amino]pyrrolidin-3-ol
CID 63703686
2-[ethyl-(4-hydroxypyrrolidin-3-yl)amino]-N-propan-2-ylacetamide
CID 63701851
(3R,4R)-4-(dimethylamino)pyrrolidin-3-ol
CID 58007276
4-[cyclohexyl(ethyl)amino]pyrrolidin-3-ol
CID 63703140
(3R,4R)-4-[cyclopentyl(ethyl)amino]pyrrolidin-3-ol;hydrochloride
CID 130905232
(3R,4S)-4-(dimethylamino)pyrrolidin-3-ol;dihydrochloride
CID 112756828
4-[methyl(pentan-2-yl)amino]pyrrolidin-3-ol
CID 63702364
N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylethanesulfinamide
CID 130762734
(3S,4S)-4-(diethylamino)-1,1-dioxothiolan-3-ol
CID 7137545
(3S)-4-(diethylamino)-1,1-dioxothiolan-3-ol
CID 130683656

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-(diethylamino)pyrrolidin-3-ol?
The IUPAC name of (3S,4R)-4-(diethylamino)pyrrolidin-3-ol (CID 129371186) is (3S,4R)-4-(diethylamino)pyrrolidin-3-ol.
What is the SMILES notation for (3S,4R)-4-(diethylamino)pyrrolidin-3-ol?
The canonical SMILES for (3S,4R)-4-(diethylamino)pyrrolidin-3-ol is CCN(CC)[C@@H]1CNC[C@@H]1O.
What is the InChIKey of (3S,4R)-4-(diethylamino)pyrrolidin-3-ol?
The InChIKey is CRJZNLPZVWDLHH-SFYZADRCSA-N. The full InChI is InChI=1S/C8H18N2O/c1-3-10(4-2)7-5-9-6-8(7)11/h7-9,11H,3-6H2,1-2H3/t7-,8+/m1/s1.
What are the key properties of (3S,4R)-4-(diethylamino)pyrrolidin-3-ol?
(3S,4R)-4-(diethylamino)pyrrolidin-3-ol has a molecular weight of 158.25 g/mol, XLogP of -0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-(diethylamino)pyrrolidin-3-ol is sourced from PubChem (CID 129371186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).