acetaldehyde;ethane;1-ethyl-4-fluoropiperidine;N-methylmethanamine

C13H31FN2O — CID 169251296

IUPACacetaldehyde;ethane;1-ethyl-4-fluoropiperidine;N-methylmethanamine
SMILESCC.CC=O.CCN1CCC(F)CC1.CNC
InChIInChI=1S/C7H14FN.C2H7N.C2H4O.C2H6/c1-2-9-5-3-7(8)4-6-9;1-3-2;1-2-3;1-2/h7H,2-6H2,1H3;3H,1-2H3;2H,1H3;1-2H3
InChIKeyHAPRHEMNGGNPLV-UHFFFAOYSA-N
MW250.40 g/mol
LogP2.51
Rot. Bonds1

About acetaldehyde;ethane;1-ethyl-4-fluoropiperidine;N-methylmethanamine

acetaldehyde;ethane;1-ethyl-4-fluoropiperidine;N-methylmethanamine (PubChem CID 169251296) has the molecular formula C13H31FN2O and a molecular weight of 250.40 g/mol. Its IUPAC name is acetaldehyde;ethane;1-ethyl-4-fluoropiperidine;N-methylmethanamine.

Molecular Properties

Compound Nameacetaldehyde;ethane;1-ethyl-4-fluoropiperidine;N-methylmethanamine
PubChem CID169251296
Molecular FormulaC13H31FN2O
Molecular Weight250.40 g/mol
Exact Mass250.24
IUPAC Nameacetaldehyde;ethane;1-ethyl-4-fluoropiperidine;N-methylmethanamine
SMILESCC.CC=O.CCN1CCC(F)CC1.CNC
InChIInChI=1S/C7H14FN.C2H7N.C2H4O.C2H6/c1-2-9-5-3-7(8)4-6-9;1-3-2;1-2-3;1-2/h7H,2-6H2,1H3;3H,1-2H3;2H,1H3;1-2H3
InChIKeyHAPRHEMNGGNPLV-UHFFFAOYSA-N
XLogP2.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.40
LogP ≤ 52.51
H-Bond Donors ≤ 51
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 acetaldehyde;ethane;1-ethyl-4-fluoropiperidine;N-methylmethanamine?
The IUPAC name of acetaldehyde;ethane;1-ethyl-4-fluoropiperidine;N-methylmethanamine (CID 169251296) is acetaldehyde;ethane;1-ethyl-4-fluoropiperidine;N-methylmethanamine.
What is the SMILES notation for acetaldehyde;ethane;1-ethyl-4-fluoropiperidine;N-methylmethanamine?
The canonical SMILES for acetaldehyde;ethane;1-ethyl-4-fluoropiperidine;N-methylmethanamine is CC.CC=O.CCN1CCC(F)CC1.CNC.
What is the InChIKey of acetaldehyde;ethane;1-ethyl-4-fluoropiperidine;N-methylmethanamine?
The InChIKey is HAPRHEMNGGNPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FN.C2H7N.C2H4O.C2H6/c1-2-9-5-3-7(8)4-6-9;1-3-2;1-2-3;1-2/h7H,2-6H2,1H3;3H,1-2H3;2H,1H3;1-2H3.
What are the key properties of acetaldehyde;ethane;1-ethyl-4-fluoropiperidine;N-methylmethanamine?
acetaldehyde;ethane;1-ethyl-4-fluoropiperidine;N-methylmethanamine has a molecular weight of 250.40 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;ethane;1-ethyl-4-fluoropiperidine;N-methylmethanamine is sourced from PubChem (CID 169251296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).