ethene;(E)-1-[(Z)-ethylideneamino]-1-piperidin-1-ylprop-1-en-2-amine

C12H23N3 — CID 142097620

IUPACethene;(E)-1-[(Z)-ethylideneamino]-1-piperidin-1-ylprop-1-en-2-amine
SMILESC/C=N\C(=C(/C)N)N1CCCCC1.C=C
InChIInChI=1S/C10H19N3.C2H4/c1-3-12-10(9(2)11)13-7-5-4-6-8-13;1-2/h3H,4-8,11H2,1-2H3;1-2H2/b10-9-,12-3-;
InChIKeyXTNWNGONKIQVHP-MCPJLJCFSA-N
MW209.34 g/mol
LogP2.51
Rot. Bonds2

About ethene;(E)-1-[(Z)-ethylideneamino]-1-piperidin-1-ylprop-1-en-2-amine

ethene;(E)-1-[(Z)-ethylideneamino]-1-piperidin-1-ylprop-1-en-2-amine (PubChem CID 142097620) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is ethene;(E)-1-[(Z)-ethylideneamino]-1-piperidin-1-ylprop-1-en-2-amine.

Molecular Properties

Compound Nameethene;(E)-1-[(Z)-ethylideneamino]-1-piperidin-1-ylprop-1-en-2-amine
PubChem CID142097620
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Nameethene;(E)-1-[(Z)-ethylideneamino]-1-piperidin-1-ylprop-1-en-2-amine
SMILESC/C=N\C(=C(/C)N)N1CCCCC1.C=C
InChIInChI=1S/C10H19N3.C2H4/c1-3-12-10(9(2)11)13-7-5-4-6-8-13;1-2/h3H,4-8,11H2,1-2H3;1-2H2/b10-9-,12-3-;
InChIKeyXTNWNGONKIQVHP-MCPJLJCFSA-N
XLogP2.51
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethene;1-pyrrolidin-1-ylethanone
CID 155736333
1-prop-1-en-2-ylpiperidine
CID 12570653
N'-methylazocane-1-carboximidamide
CID 62359325
ethane;1-prop-1-en-2-ylpiperidine
CID 142839582
acetaldehyde;1-pyrrolidin-1-ylethanone
CID 144643682
ethane;piperidine-1-carboxamide
CID 176963561
2-(ethylideneamino)-1-piperidin-1-ylethanone
CID 156723725
2-hydroxyimino-1-piperidin-1-ylpropan-1-one
CID 71404866
N'-tert-butylazocane-1-carboximidamide
CID 62361042
(E)-1-pyrrolidin-1-ylprop-1-en-1-ol
CID 135050280
[amino(piperidin-1-yl)methylidene]tungsten
CID 59710014
1-piperidin-1-ylprop-2-en-1-one;prop-2-enamide
CID 70414957

Frequently Asked Questions

What is the IUPAC name of ethene;(E)-1-[(Z)-ethylideneamino]-1-piperidin-1-ylprop-1-en-2-amine?
The IUPAC name of ethene;(E)-1-[(Z)-ethylideneamino]-1-piperidin-1-ylprop-1-en-2-amine (CID 142097620) is ethene;(E)-1-[(Z)-ethylideneamino]-1-piperidin-1-ylprop-1-en-2-amine.
What is the SMILES notation for ethene;(E)-1-[(Z)-ethylideneamino]-1-piperidin-1-ylprop-1-en-2-amine?
The canonical SMILES for ethene;(E)-1-[(Z)-ethylideneamino]-1-piperidin-1-ylprop-1-en-2-amine is C/C=N\C(=C(/C)N)N1CCCCC1.C=C.
What is the InChIKey of ethene;(E)-1-[(Z)-ethylideneamino]-1-piperidin-1-ylprop-1-en-2-amine?
The InChIKey is XTNWNGONKIQVHP-MCPJLJCFSA-N. The full InChI is InChI=1S/C10H19N3.C2H4/c1-3-12-10(9(2)11)13-7-5-4-6-8-13;1-2/h3H,4-8,11H2,1-2H3;1-2H2/b10-9-,12-3-;.
What are the key properties of ethene;(E)-1-[(Z)-ethylideneamino]-1-piperidin-1-ylprop-1-en-2-amine?
ethene;(E)-1-[(Z)-ethylideneamino]-1-piperidin-1-ylprop-1-en-2-amine has a molecular weight of 209.34 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;(E)-1-[(Z)-ethylideneamino]-1-piperidin-1-ylprop-1-en-2-amine is sourced from PubChem (CID 142097620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).