ethane;1-methylazetidine;3-methylmorpholine-4-carbaldehyde

C14H32N2O2 — CID 168940768

IUPACethane;1-methylazetidine;3-methylmorpholine-4-carbaldehyde
SMILESCC.CC.CC1COCCN1C=O.CN1CCC1
InChIInChI=1S/C6H11NO2.C4H9N.2C2H6/c1-6-4-9-3-2-7(6)5-8;1-5-3-2-4-5;2*1-2/h5-6H,2-4H2,1H3;2-4H2,1H3;2*1-2H3
InChIKeyIYPWAHAWMBWQML-UHFFFAOYSA-N
MW260.42 g/mol
LogP2.24
Rot. Bonds1

About ethane;1-methylazetidine;3-methylmorpholine-4-carbaldehyde

ethane;1-methylazetidine;3-methylmorpholine-4-carbaldehyde (PubChem CID 168940768) has the molecular formula C14H32N2O2 and a molecular weight of 260.42 g/mol. Its IUPAC name is ethane;1-methylazetidine;3-methylmorpholine-4-carbaldehyde.

Molecular Properties

Compound Nameethane;1-methylazetidine;3-methylmorpholine-4-carbaldehyde
PubChem CID168940768
Molecular FormulaC14H32N2O2
Molecular Weight260.42 g/mol
Exact Mass260.25
IUPAC Nameethane;1-methylazetidine;3-methylmorpholine-4-carbaldehyde
SMILESCC.CC.CC1COCCN1C=O.CN1CCC1
InChIInChI=1S/C6H11NO2.C4H9N.2C2H6/c1-6-4-9-3-2-7(6)5-8;1-5-3-2-4-5;2*1-2/h5-6H,2-4H2,1H3;2-4H2,1H3;2*1-2H3
InChIKeyIYPWAHAWMBWQML-UHFFFAOYSA-N
XLogP2.24
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;1-methylazetidine;3-methylmorpholine-4-carbaldehyde?
The IUPAC name of ethane;1-methylazetidine;3-methylmorpholine-4-carbaldehyde (CID 168940768) is ethane;1-methylazetidine;3-methylmorpholine-4-carbaldehyde.
What is the SMILES notation for ethane;1-methylazetidine;3-methylmorpholine-4-carbaldehyde?
The canonical SMILES for ethane;1-methylazetidine;3-methylmorpholine-4-carbaldehyde is CC.CC.CC1COCCN1C=O.CN1CCC1.
What is the InChIKey of ethane;1-methylazetidine;3-methylmorpholine-4-carbaldehyde?
The InChIKey is IYPWAHAWMBWQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2.C4H9N.2C2H6/c1-6-4-9-3-2-7(6)5-8;1-5-3-2-4-5;2*1-2/h5-6H,2-4H2,1H3;2-4H2,1H3;2*1-2H3.
What are the key properties of ethane;1-methylazetidine;3-methylmorpholine-4-carbaldehyde?
ethane;1-methylazetidine;3-methylmorpholine-4-carbaldehyde has a molecular weight of 260.42 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methylazetidine;3-methylmorpholine-4-carbaldehyde is sourced from PubChem (CID 168940768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).