acetaldehyde;ethane;N-methylcyclohexanamine;1-methylpiperazine

C16H37N3O — CID 156641426

IUPACacetaldehyde;ethane;N-methylcyclohexanamine;1-methylpiperazine
SMILESCC.CC=O.CN1CCNCC1.CNC1CCCCC1
InChIInChI=1S/C7H15N.C5H12N2.C2H4O.C2H6/c1-8-7-5-3-2-4-6-7;1-7-4-2-6-3-5-7;1-2-3;1-2/h7-8H,2-6H2,1H3;6H,2-5H2,1H3;2H,1H3;1-2H3
InChIKeyFRZREMLQVPIRQL-UHFFFAOYSA-N
MW287.49 g/mol
LogP2.29
Rot. Bonds1

About acetaldehyde;ethane;N-methylcyclohexanamine;1-methylpiperazine

acetaldehyde;ethane;N-methylcyclohexanamine;1-methylpiperazine (PubChem CID 156641426) has the molecular formula C16H37N3O and a molecular weight of 287.49 g/mol. Its IUPAC name is acetaldehyde;ethane;N-methylcyclohexanamine;1-methylpiperazine.

Molecular Properties

Compound Nameacetaldehyde;ethane;N-methylcyclohexanamine;1-methylpiperazine
PubChem CID156641426
Molecular FormulaC16H37N3O
Molecular Weight287.49 g/mol
Exact Mass287.29
IUPAC Nameacetaldehyde;ethane;N-methylcyclohexanamine;1-methylpiperazine
SMILESCC.CC=O.CN1CCNCC1.CNC1CCCCC1
InChIInChI=1S/C7H15N.C5H12N2.C2H4O.C2H6/c1-8-7-5-3-2-4-6-7;1-7-4-2-6-3-5-7;1-2-3;1-2/h7-8H,2-6H2,1H3;6H,2-5H2,1H3;2H,1H3;1-2H3
InChIKeyFRZREMLQVPIRQL-UHFFFAOYSA-N
XLogP2.29
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.49
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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;N-methylcyclohexanamine;1-methylpiperazine?
The IUPAC name of acetaldehyde;ethane;N-methylcyclohexanamine;1-methylpiperazine (CID 156641426) is acetaldehyde;ethane;N-methylcyclohexanamine;1-methylpiperazine.
What is the SMILES notation for acetaldehyde;ethane;N-methylcyclohexanamine;1-methylpiperazine?
The canonical SMILES for acetaldehyde;ethane;N-methylcyclohexanamine;1-methylpiperazine is CC.CC=O.CN1CCNCC1.CNC1CCCCC1.
What is the InChIKey of acetaldehyde;ethane;N-methylcyclohexanamine;1-methylpiperazine?
The InChIKey is FRZREMLQVPIRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.C5H12N2.C2H4O.C2H6/c1-8-7-5-3-2-4-6-7;1-7-4-2-6-3-5-7;1-2-3;1-2/h7-8H,2-6H2,1H3;6H,2-5H2,1H3;2H,1H3;1-2H3.
What are the key properties of acetaldehyde;ethane;N-methylcyclohexanamine;1-methylpiperazine?
acetaldehyde;ethane;N-methylcyclohexanamine;1-methylpiperazine has a molecular weight of 287.49 g/mol, XLogP of 2.29, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;ethane;N-methylcyclohexanamine;1-methylpiperazine is sourced from PubChem (CID 156641426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).