N,N-diethylethanamine;oxolane-2,2-diol

C10H23NO3 — CID 175310539

IUPACN,N-diethylethanamine;oxolane-2,2-diol
SMILESCCN(CC)CC.OC1(O)CCCO1
InChIInChI=1S/C6H15N.C4H8O3/c1-4-7(5-2)6-3;5-4(6)2-1-3-7-4/h4-6H2,1-3H3;5-6H,1-3H2
InChIKeyHVAPHKNTHXGPMK-UHFFFAOYSA-N
MW205.30 g/mol
LogP0.78
Rot. Bonds3

About N,N-diethylethanamine;oxolane-2,2-diol

N,N-diethylethanamine;oxolane-2,2-diol (PubChem CID 175310539) has the molecular formula C10H23NO3 and a molecular weight of 205.30 g/mol. Its IUPAC name is N,N-diethylethanamine;oxolane-2,2-diol.

Molecular Properties

Compound NameN,N-diethylethanamine;oxolane-2,2-diol
PubChem CID175310539
Molecular FormulaC10H23NO3
Molecular Weight205.30 g/mol
Exact Mass205.17
IUPAC NameN,N-diethylethanamine;oxolane-2,2-diol
SMILESCCN(CC)CC.OC1(O)CCCO1
InChIInChI=1S/C6H15N.C4H8O3/c1-4-7(5-2)6-3;5-4(6)2-1-3-7-4/h4-6H2,1-3H3;5-6H,1-3H2
InChIKeyHVAPHKNTHXGPMK-UHFFFAOYSA-N
XLogP0.78
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(diethylaminomethyl)oxetan-2-ol
CID 66673153
azane;cyclopropane;N,N-diethylethanamine;hydrochloride
CID 174766086
ethyl-[(2-hydroxyoxolan-2-yl)methyl]-dimethylazanium
CID 90087240
2,2,3-triethoxy-3-methyloxane
CID 150971833
N,N-diethylethanamine;hydrate;trihydrofluoride
CID 172684956
CID 173397842
CID 173397842
N,N-diethylethanamine;ethane
CID 22114990
2-ethyl-2-fluorooxolane;fluoroethane;fluoromethane
CID 91569034
CID 71376373
CID 71376373
acetonitrile;cyclohexane;N,N-diethylethanamine
CID 23094312
N,N-diethylethanamine;hypofluorous acid
CID 157218487
N,N-diethylethanamine;hypochlorous acid
CID 87187871

Frequently Asked Questions

What is the IUPAC name of N,N-diethylethanamine;oxolane-2,2-diol?
The IUPAC name of N,N-diethylethanamine;oxolane-2,2-diol (CID 175310539) is N,N-diethylethanamine;oxolane-2,2-diol.
What is the SMILES notation for N,N-diethylethanamine;oxolane-2,2-diol?
The canonical SMILES for N,N-diethylethanamine;oxolane-2,2-diol is CCN(CC)CC.OC1(O)CCCO1.
What is the InChIKey of N,N-diethylethanamine;oxolane-2,2-diol?
The InChIKey is HVAPHKNTHXGPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C4H8O3/c1-4-7(5-2)6-3;5-4(6)2-1-3-7-4/h4-6H2,1-3H3;5-6H,1-3H2.
What are the key properties of N,N-diethylethanamine;oxolane-2,2-diol?
N,N-diethylethanamine;oxolane-2,2-diol has a molecular weight of 205.30 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylethanamine;oxolane-2,2-diol is sourced from PubChem (CID 175310539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).