4-[3-(diethylamino)propylamino]oxolan-3-ol

C11H24N2O2 — CID 60896657

IUPAC4-[3-(diethylamino)propylamino]oxolan-3-ol
SMILESCCN(CC)CCCNC1COCC1O
InChIInChI=1S/C11H24N2O2/c1-3-13(4-2)7-5-6-12-10-8-15-9-11(10)14/h10-12,14H,3-9H2,1-2H3
InChIKeyXPXMGEBYXCUAPQ-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.07
Rot. Bonds7

About 4-[3-(diethylamino)propylamino]oxolan-3-ol

4-[3-(diethylamino)propylamino]oxolan-3-ol (PubChem CID 60896657) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 4-[3-(diethylamino)propylamino]oxolan-3-ol.

Molecular Properties

Compound Name4-[3-(diethylamino)propylamino]oxolan-3-ol
PubChem CID60896657
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name4-[3-(diethylamino)propylamino]oxolan-3-ol
SMILESCCN(CC)CCCNC1COCC1O
InChIInChI=1S/C11H24N2O2/c1-3-13(4-2)7-5-6-12-10-8-15-9-11(10)14/h10-12,14H,3-9H2,1-2H3
InChIKeyXPXMGEBYXCUAPQ-UHFFFAOYSA-N
XLogP0.07
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-Propanol, 1-butoxy-3-((1-methylethyl)amino)-
CID 3067037
(3S,4R)-4-(methylamino)oxolan-3-ol
CID 89143979
rac-(3R,4S)-4-(piperazin-1-yl)oxolan-3-ol
CID 126846592
(2S,3R,4R)-4-amino-2-(diethylaminomethyl)oxolan-3-ol
CID 125416320
2-Hydroxy-3-isopropylaminopropyl ether
CID 56635909
4-(4,4,4-Trifluorobutan-2-ylamino)oxolan-3-ol
CID 115923408
4-(2-Fluoroethylamino)oxolan-3-ol
CID 130503994
(3S,4R)-4-(2-fluoroethylamino)oxolan-3-ol
CID 130751543
1-{[(3R,4S)-4-fluorooxolan-3-yl]amino}-3-methoxypropan-2-ol
CID 168021391
4-(Methylamino)oxolan-3-ol
CID 21348701
4-(Propylamino)oxolan-3-ol
CID 22767000
4-(Ethylamino)tetrahydrofuran-3-ol
CID 22767001

Frequently Asked Questions

What is the IUPAC name of 4-[3-(diethylamino)propylamino]oxolan-3-ol?
The IUPAC name of 4-[3-(diethylamino)propylamino]oxolan-3-ol (CID 60896657) is 4-[3-(diethylamino)propylamino]oxolan-3-ol.
What is the SMILES notation for 4-[3-(diethylamino)propylamino]oxolan-3-ol?
The canonical SMILES for 4-[3-(diethylamino)propylamino]oxolan-3-ol is CCN(CC)CCCNC1COCC1O.
What is the InChIKey of 4-[3-(diethylamino)propylamino]oxolan-3-ol?
The InChIKey is XPXMGEBYXCUAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-3-13(4-2)7-5-6-12-10-8-15-9-11(10)14/h10-12,14H,3-9H2,1-2H3.
What are the key properties of 4-[3-(diethylamino)propylamino]oxolan-3-ol?
4-[3-(diethylamino)propylamino]oxolan-3-ol has a molecular weight of 216.32 g/mol, XLogP of 0.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(diethylamino)propylamino]oxolan-3-ol is sourced from PubChem (CID 60896657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).