ethane;2-[(5-ethyl-2-pyridinyl)oxy]-N-methylethanamine;molecular hydrogen;hydroiodide

C12H25IN2O — CID 142597044

IUPACethane;2-[(5-ethyl-2-pyridinyl)oxy]-N-methylethanamine;molecular hydrogen;hydroiodide
SMILESCC.CCc1ccc(OCCNC)nc1.I.[H][H]
InChIInChI=1S/C10H16N2O.C2H6.HI.H2/c1-3-9-4-5-10(12-8-9)13-7-6-11-2;1-2;;/h4-5,8,11H,3,6-7H2,1-2H3;1-2H3;2*1H
InChIKeyZTTWOJLGOSMSCM-UHFFFAOYSA-N
MW340.25 g/mol
LogP3.13
Rot. Bonds5

About ethane;2-[(5-ethyl-2-pyridinyl)oxy]-N-methylethanamine;molecular hydrogen;hydroiodide

ethane;2-[(5-ethyl-2-pyridinyl)oxy]-N-methylethanamine;molecular hydrogen;hydroiodide (PubChem CID 142597044) has the molecular formula C12H25IN2O and a molecular weight of 340.25 g/mol. Its IUPAC name is ethane;2-[(5-ethyl-2-pyridinyl)oxy]-N-methylethanamine;molecular hydrogen;hydroiodide.

Molecular Properties

Compound Nameethane;2-[(5-ethyl-2-pyridinyl)oxy]-N-methylethanamine;molecular hydrogen;hydroiodide
PubChem CID142597044
Molecular FormulaC12H25IN2O
Molecular Weight340.25 g/mol
Exact Mass340.10
IUPAC Nameethane;2-[(5-ethyl-2-pyridinyl)oxy]-N-methylethanamine;molecular hydrogen;hydroiodide
SMILESCC.CCc1ccc(OCCNC)nc1.I.[H][H]
InChIInChI=1S/C10H16N2O.C2H6.HI.H2/c1-3-9-4-5-10(12-8-9)13-7-6-11-2;1-2;;/h4-5,8,11H,3,6-7H2,1-2H3;1-2H3;2*1H
InChIKeyZTTWOJLGOSMSCM-UHFFFAOYSA-N
XLogP3.13
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.25
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;2-[(5-ethyl-2-pyridinyl)oxy]-N-methylethanamine;molecular hydrogen;hydroiodide?
The IUPAC name of ethane;2-[(5-ethyl-2-pyridinyl)oxy]-N-methylethanamine;molecular hydrogen;hydroiodide (CID 142597044) is ethane;2-[(5-ethyl-2-pyridinyl)oxy]-N-methylethanamine;molecular hydrogen;hydroiodide.
What is the SMILES notation for ethane;2-[(5-ethyl-2-pyridinyl)oxy]-N-methylethanamine;molecular hydrogen;hydroiodide?
The canonical SMILES for ethane;2-[(5-ethyl-2-pyridinyl)oxy]-N-methylethanamine;molecular hydrogen;hydroiodide is CC.CCc1ccc(OCCNC)nc1.I.[H][H].
What is the InChIKey of ethane;2-[(5-ethyl-2-pyridinyl)oxy]-N-methylethanamine;molecular hydrogen;hydroiodide?
The InChIKey is ZTTWOJLGOSMSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O.C2H6.HI.H2/c1-3-9-4-5-10(12-8-9)13-7-6-11-2;1-2;;/h4-5,8,11H,3,6-7H2,1-2H3;1-2H3;2*1H.
What are the key properties of ethane;2-[(5-ethyl-2-pyridinyl)oxy]-N-methylethanamine;molecular hydrogen;hydroiodide?
ethane;2-[(5-ethyl-2-pyridinyl)oxy]-N-methylethanamine;molecular hydrogen;hydroiodide has a molecular weight of 340.25 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[(5-ethyl-2-pyridinyl)oxy]-N-methylethanamine;molecular hydrogen;hydroiodide is sourced from PubChem (CID 142597044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).