(E)-2-piperidin-1-ylhex-2-ene-1,4-diimine

C11H19N3 — CID 171811235

IUPAC(E)-2-piperidin-1-ylhex-2-ene-1,4-diimine
SMILES[H]/N=C/C(=C\C(CC)=N\[H])N1CCCCC1
InChIInChI=1S/C11H19N3/c1-2-10(13)8-11(9-12)14-6-4-3-5-7-14/h8-9,12-13H,2-7H2,1H3/b11-8+,12-9+,13-10+
InChIKeyBLEFUKFQOGBIKM-FOXWYSRTSA-N
MW193.29 g/mol
LogP2.44
Rot. Bonds4

About (E)-2-piperidin-1-ylhex-2-ene-1,4-diimine

(E)-2-piperidin-1-ylhex-2-ene-1,4-diimine (PubChem CID 171811235) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is (E)-2-piperidin-1-ylhex-2-ene-1,4-diimine.

Molecular Properties

Compound Name(E)-2-piperidin-1-ylhex-2-ene-1,4-diimine
PubChem CID171811235
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name(E)-2-piperidin-1-ylhex-2-ene-1,4-diimine
SMILES[H]/N=C/C(=C\C(CC)=N\[H])N1CCCCC1
InChIInChI=1S/C11H19N3/c1-2-10(13)8-11(9-12)14-6-4-3-5-7-14/h8-9,12-13H,2-7H2,1H3/b11-8+,12-9+,13-10+
InChIKeyBLEFUKFQOGBIKM-FOXWYSRTSA-N
XLogP2.44
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Piperidin-1-ylhex-2-enimidoyl chloride
CID 123527230
(E)-5-(4-methylpiperazin-1-yl)hex-4-en-3-imine
CID 123714224
3-(4-Methylpiperazin-1-yl)cyclohex-2-en-1-imine
CID 123946826
(5E)-5-(1-methylpiperidin-2-ylidene)pentan-1-imine;hydroiodide
CID 140972577
(6E)-6-(1-methylpiperidin-2-ylidene)hexan-1-imine;hydroiodide
CID 140972589
(E)-N-methyl-3-piperidin-1-ylpent-2-en-1-imine
CID 142061223
(Z)-1-(1-ethylpiperidin-4-yl)-3-iminoprop-1-en-1-amine
CID 143506326
(Z)-1-(1,4-dimethylpiperidin-4-yl)-3-iminoprop-1-en-1-amine;ethane
CID 145647957
(Z)-1-(1,4-dimethylpiperidin-4-yl)-3-iminoprop-1-en-1-amine
CID 145647958
1-[(E)-5-amino-1-iminohex-4-en-2-yl]-N,N-dipropylpiperidin-4-amine
CID 153405619
3-Methyl-5-(piperidin-1-ylmethyl)-1lambda3-ioda-2,6-diazacyclohexa-1,3,5-triene
CID 163474338
ethane;(3Z)-1-ethyl-3-(2-iminopropylidene)piperidin-4-imine
CID 171523504

Frequently Asked Questions

What is the IUPAC name of (E)-2-piperidin-1-ylhex-2-ene-1,4-diimine?
The IUPAC name of (E)-2-piperidin-1-ylhex-2-ene-1,4-diimine (CID 171811235) is (E)-2-piperidin-1-ylhex-2-ene-1,4-diimine.
What is the SMILES notation for (E)-2-piperidin-1-ylhex-2-ene-1,4-diimine?
The canonical SMILES for (E)-2-piperidin-1-ylhex-2-ene-1,4-diimine is [H]/N=C/C(=C\C(CC)=N\[H])N1CCCCC1.
What is the InChIKey of (E)-2-piperidin-1-ylhex-2-ene-1,4-diimine?
The InChIKey is BLEFUKFQOGBIKM-FOXWYSRTSA-N. The full InChI is InChI=1S/C11H19N3/c1-2-10(13)8-11(9-12)14-6-4-3-5-7-14/h8-9,12-13H,2-7H2,1H3/b11-8+,12-9+,13-10+.
What are the key properties of (E)-2-piperidin-1-ylhex-2-ene-1,4-diimine?
(E)-2-piperidin-1-ylhex-2-ene-1,4-diimine has a molecular weight of 193.29 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-piperidin-1-ylhex-2-ene-1,4-diimine is sourced from PubChem (CID 171811235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).