(3S,4R)-4-[2-(diethylamino)ethylamino]oxolan-3-ol

C10H22N2O2 — CID 126846675

IUPAC(3S,4R)-4-[2-(diethylamino)ethylamino]oxolan-3-ol
SMILESCCN(CC)CCN[C@@H]1COC[C@H]1O
InChIInChI=1S/C10H22N2O2/c1-3-12(4-2)6-5-11-9-7-14-8-10(9)13/h9-11,13H,3-8H2,1-2H3/t9-,10-/m1/s1
InChIKeyPATIPMVUUZPUTB-NXEZZACHSA-N
MW202.30 g/mol
LogP-0.32
Rot. Bonds6

About (3S,4R)-4-[2-(diethylamino)ethylamino]oxolan-3-ol

(3S,4R)-4-[2-(diethylamino)ethylamino]oxolan-3-ol (PubChem CID 126846675) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is (3S,4R)-4-[2-(diethylamino)ethylamino]oxolan-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-[2-(diethylamino)ethylamino]oxolan-3-ol
PubChem CID126846675
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name(3S,4R)-4-[2-(diethylamino)ethylamino]oxolan-3-ol
SMILESCCN(CC)CCN[C@@H]1COC[C@H]1O
InChIInChI=1S/C10H22N2O2/c1-3-12(4-2)6-5-11-9-7-14-8-10(9)13/h9-11,13H,3-8H2,1-2H3/t9-,10-/m1/s1
InChIKeyPATIPMVUUZPUTB-NXEZZACHSA-N
XLogP-0.32
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(diethylamino)propylamino]oxolan-3-ol
CID 60896657
4-(4-aminobutylamino)oxolan-3-ol
CID 155892283
4-(diethylaminomethyl)-N-propyloxolan-3-amine
CID 66256952
(3S,4R)-4-(3-propan-2-yloxypropylamino)oxolan-3-ol
CID 126846624
N',N'-diethyl-N-(6-oxaspiro[4.5]decan-9-yl)ethane-1,2-diamine
CID 79898315
4-(2-methylpentylamino)oxolan-3-ol
CID 115919683
4-(3-cyclopentylpropylamino)oxolan-3-ol
CID 106010570
(3R,4S)-4-(2-phenylethylamino)oxolan-3-ol
CID 86315413
4-[(4-hydroxycyclohexyl)methylamino]oxolan-3-ol
CID 106133383
(3S,4R)-4-(oxan-4-ylmethylamino)oxolan-3-ol
CID 126846605
4-[[2-(diethylamino)-2-phenylethyl]amino]oxolan-3-ol
CID 60900945
N-(1,9-dioxaspiro[5.5]undecan-4-yl)-N',N'-diethylethane-1,2-diamine
CID 79898387

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-[2-(diethylamino)ethylamino]oxolan-3-ol?
The IUPAC name of (3S,4R)-4-[2-(diethylamino)ethylamino]oxolan-3-ol (CID 126846675) is (3S,4R)-4-[2-(diethylamino)ethylamino]oxolan-3-ol.
What is the SMILES notation for (3S,4R)-4-[2-(diethylamino)ethylamino]oxolan-3-ol?
The canonical SMILES for (3S,4R)-4-[2-(diethylamino)ethylamino]oxolan-3-ol is CCN(CC)CCN[C@@H]1COC[C@H]1O.
What is the InChIKey of (3S,4R)-4-[2-(diethylamino)ethylamino]oxolan-3-ol?
The InChIKey is PATIPMVUUZPUTB-NXEZZACHSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-3-12(4-2)6-5-11-9-7-14-8-10(9)13/h9-11,13H,3-8H2,1-2H3/t9-,10-/m1/s1.
What are the key properties of (3S,4R)-4-[2-(diethylamino)ethylamino]oxolan-3-ol?
(3S,4R)-4-[2-(diethylamino)ethylamino]oxolan-3-ol has a molecular weight of 202.30 g/mol, XLogP of -0.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-[2-(diethylamino)ethylamino]oxolan-3-ol is sourced from PubChem (CID 126846675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).