acetaldehyde;1-(1-methylpiperidin-3-yl)ethanamine

C10H22N2O — CID 145244362

IUPACacetaldehyde;1-(1-methylpiperidin-3-yl)ethanamine
SMILESCC(N)C1CCCN(C)C1.CC=O
InChIInChI=1S/C8H18N2.C2H4O/c1-7(9)8-4-3-5-10(2)6-8;1-2-3/h7-8H,3-6,9H2,1-2H3;2H,1H3
InChIKeyIURXOXXRDFBYPK-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.88
Rot. Bonds1

About acetaldehyde;1-(1-methylpiperidin-3-yl)ethanamine

acetaldehyde;1-(1-methylpiperidin-3-yl)ethanamine (PubChem CID 145244362) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is acetaldehyde;1-(1-methylpiperidin-3-yl)ethanamine.

Molecular Properties

Compound Nameacetaldehyde;1-(1-methylpiperidin-3-yl)ethanamine
PubChem CID145244362
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Nameacetaldehyde;1-(1-methylpiperidin-3-yl)ethanamine
SMILESCC(N)C1CCCN(C)C1.CC=O
InChIInChI=1S/C8H18N2.C2H4O/c1-7(9)8-4-3-5-10(2)6-8;1-2-3/h7-8H,3-6,9H2,1-2H3;2H,1H3
InChIKeyIURXOXXRDFBYPK-UHFFFAOYSA-N
XLogP0.88
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1-[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-methylbut-2-en-1-one
CID 99702679
1-[1-(2-cyclopentylethyl)piperidin-3-yl]ethanamine
CID 119925718
(E)-1-[3-(1-aminoethyl)piperidin-1-yl]-2-methylbut-2-en-1-one;hydrochloride
CID 132970517
1-[3-(1-aminoethyl)piperidin-1-yl]-2-cyclopropylpropan-1-one;hydrochloride
CID 119594099
1-N-methyl-1-(1-methylpiperidin-3-yl)pentane-1,4-diamine
CID 116949940
1-cyclobutyl-N-[1-(1-methylpiperidin-3-yl)ethyl]ethanamine
CID 115896474
1-(1-methylpiperidin-3-yl)butane-1,4-diamine
CID 116933806
2-[3-(1-aminoethyl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 63845229
1-[3-(1-aminoethyl)piperidin-1-yl]-2-(cyclopentylmethyl)pentan-1-one;hydrochloride
CID 119594215
1-methyl-3-(2-methylpentan-3-yl)piperidine
CID 137432398
3-methyl-1-(1-methylpiperidin-3-yl)butan-2-amine
CID 83983005
2-[1-(1-methylpiperidin-3-yl)ethylamino]acetamide
CID 43307274

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;1-(1-methylpiperidin-3-yl)ethanamine?
The IUPAC name of acetaldehyde;1-(1-methylpiperidin-3-yl)ethanamine (CID 145244362) is acetaldehyde;1-(1-methylpiperidin-3-yl)ethanamine.
What is the SMILES notation for acetaldehyde;1-(1-methylpiperidin-3-yl)ethanamine?
The canonical SMILES for acetaldehyde;1-(1-methylpiperidin-3-yl)ethanamine is CC(N)C1CCCN(C)C1.CC=O.
What is the InChIKey of acetaldehyde;1-(1-methylpiperidin-3-yl)ethanamine?
The InChIKey is IURXOXXRDFBYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2.C2H4O/c1-7(9)8-4-3-5-10(2)6-8;1-2-3/h7-8H,3-6,9H2,1-2H3;2H,1H3.
What are the key properties of acetaldehyde;1-(1-methylpiperidin-3-yl)ethanamine?
acetaldehyde;1-(1-methylpiperidin-3-yl)ethanamine has a molecular weight of 186.30 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;1-(1-methylpiperidin-3-yl)ethanamine is sourced from PubChem (CID 145244362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).