acetaldehyde;1-methylpiperidin-4-amine

C8H18N2O — CID 143949055

IUPACacetaldehyde;1-methylpiperidin-4-amine
SMILESCC=O.CN1CCC(N)CC1
InChIInChI=1S/C6H14N2.C2H4O/c1-8-4-2-6(7)3-5-8;1-2-3/h6H,2-5,7H2,1H3;2H,1H3
InChIKeyRSTOTLNTSBNYOK-UHFFFAOYSA-N
MW158.25 g/mol
LogP0.24
Rot. Bonds

About acetaldehyde;1-methylpiperidin-4-amine

acetaldehyde;1-methylpiperidin-4-amine (PubChem CID 143949055) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is acetaldehyde;1-methylpiperidin-4-amine.

Molecular Properties

Compound Nameacetaldehyde;1-methylpiperidin-4-amine
PubChem CID143949055
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC Nameacetaldehyde;1-methylpiperidin-4-amine
SMILESCC=O.CN1CCC(N)CC1
InChIInChI=1S/C6H14N2.C2H4O/c1-8-4-2-6(7)3-5-8;1-2-3/h6H,2-5,7H2,1H3;2H,1H3
InChIKeyRSTOTLNTSBNYOK-UHFFFAOYSA-N
XLogP0.24
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 50.24
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;1-methylpiperidin-4-amine?
The IUPAC name of acetaldehyde;1-methylpiperidin-4-amine (CID 143949055) is acetaldehyde;1-methylpiperidin-4-amine.
What is the SMILES notation for acetaldehyde;1-methylpiperidin-4-amine?
The canonical SMILES for acetaldehyde;1-methylpiperidin-4-amine is CC=O.CN1CCC(N)CC1.
What is the InChIKey of acetaldehyde;1-methylpiperidin-4-amine?
The InChIKey is RSTOTLNTSBNYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2.C2H4O/c1-8-4-2-6(7)3-5-8;1-2-3/h6H,2-5,7H2,1H3;2H,1H3.
What are the key properties of acetaldehyde;1-methylpiperidin-4-amine?
acetaldehyde;1-methylpiperidin-4-amine has a molecular weight of 158.25 g/mol, XLogP of 0.24, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;1-methylpiperidin-4-amine is sourced from PubChem (CID 143949055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).