acetamide;(Z)-4-methylidenehex-2-ene;1-(6-methylpiperidin-3-yl)ethenamine

C17H33N3O — CID 145162304

IUPACacetamide;(Z)-4-methylidenehex-2-ene;1-(6-methylpiperidin-3-yl)ethenamine
SMILESC=C(/C=C\C)CC.C=C(N)C1CCC(C)NC1.CC(N)=O
InChIInChI=1S/C8H16N2.C7H12.C2H5NO/c1-6-3-4-8(5-10-6)7(2)9;1-4-6-7(3)5-2;1-2(3)4/h6,8,10H,2-5,9H2,1H3;4,6H,3,5H2,1-2H3;1H3,(H2,3,4)/b;6-4-;
InChIKeySCCWBEUTORZSAD-GONQOWGMSA-N
MW295.47 g/mol
LogP2.87
Rot. Bonds3

About acetamide;(Z)-4-methylidenehex-2-ene;1-(6-methylpiperidin-3-yl)ethenamine

acetamide;(Z)-4-methylidenehex-2-ene;1-(6-methylpiperidin-3-yl)ethenamine (PubChem CID 145162304) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is acetamide;(Z)-4-methylidenehex-2-ene;1-(6-methylpiperidin-3-yl)ethenamine.

Molecular Properties

Compound Nameacetamide;(Z)-4-methylidenehex-2-ene;1-(6-methylpiperidin-3-yl)ethenamine
PubChem CID145162304
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Nameacetamide;(Z)-4-methylidenehex-2-ene;1-(6-methylpiperidin-3-yl)ethenamine
SMILESC=C(/C=C\C)CC.C=C(N)C1CCC(C)NC1.CC(N)=O
InChIInChI=1S/C8H16N2.C7H12.C2H5NO/c1-6-3-4-8(5-10-6)7(2)9;1-4-6-7(3)5-2;1-2(3)4/h6,8,10H,2-5,9H2,1H3;4,6H,3,5H2,1-2H3;1H3,(H2,3,4)/b;6-4-;
InChIKeySCCWBEUTORZSAD-GONQOWGMSA-N
XLogP2.87
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetamide;(Z)-4-methylidenehex-2-ene;1-(6-methylpiperidin-3-yl)ethenamine?
The IUPAC name of acetamide;(Z)-4-methylidenehex-2-ene;1-(6-methylpiperidin-3-yl)ethenamine (CID 145162304) is acetamide;(Z)-4-methylidenehex-2-ene;1-(6-methylpiperidin-3-yl)ethenamine.
What is the SMILES notation for acetamide;(Z)-4-methylidenehex-2-ene;1-(6-methylpiperidin-3-yl)ethenamine?
The canonical SMILES for acetamide;(Z)-4-methylidenehex-2-ene;1-(6-methylpiperidin-3-yl)ethenamine is C=C(/C=C\C)CC.C=C(N)C1CCC(C)NC1.CC(N)=O.
What is the InChIKey of acetamide;(Z)-4-methylidenehex-2-ene;1-(6-methylpiperidin-3-yl)ethenamine?
The InChIKey is SCCWBEUTORZSAD-GONQOWGMSA-N. The full InChI is InChI=1S/C8H16N2.C7H12.C2H5NO/c1-6-3-4-8(5-10-6)7(2)9;1-4-6-7(3)5-2;1-2(3)4/h6,8,10H,2-5,9H2,1H3;4,6H,3,5H2,1-2H3;1H3,(H2,3,4)/b;6-4-;.
What are the key properties of acetamide;(Z)-4-methylidenehex-2-ene;1-(6-methylpiperidin-3-yl)ethenamine?
acetamide;(Z)-4-methylidenehex-2-ene;1-(6-methylpiperidin-3-yl)ethenamine has a molecular weight of 295.47 g/mol, XLogP of 2.87, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;(Z)-4-methylidenehex-2-ene;1-(6-methylpiperidin-3-yl)ethenamine is sourced from PubChem (CID 145162304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).