N-[(E)-4-piperidin-2-ylbut-2-en-2-yl]propan-2-imine

C12H22N2 — CID 123211008

IUPACN-[(E)-4-piperidin-2-ylbut-2-en-2-yl]propan-2-imine
SMILESCC(C)=N/C(C)=C/CC1CCCCN1
InChIInChI=1S/C12H22N2/c1-10(2)14-11(3)7-8-12-6-4-5-9-13-12/h7,12-13H,4-6,8-9H2,1-3H3/b11-7+
InChIKeyAFGVJYRZISLBTI-YRNVUSSQSA-N
MW194.32 g/mol
LogP2.90
Rot. Bonds3

About N-[(E)-4-piperidin-2-ylbut-2-en-2-yl]propan-2-imine

N-[(E)-4-piperidin-2-ylbut-2-en-2-yl]propan-2-imine (PubChem CID 123211008) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is N-[(E)-4-piperidin-2-ylbut-2-en-2-yl]propan-2-imine.

Molecular Properties

Compound NameN-[(E)-4-piperidin-2-ylbut-2-en-2-yl]propan-2-imine
PubChem CID123211008
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC NameN-[(E)-4-piperidin-2-ylbut-2-en-2-yl]propan-2-imine
SMILESCC(C)=N/C(C)=C/CC1CCCCN1
InChIInChI=1S/C12H22N2/c1-10(2)14-11(3)7-8-12-6-4-5-9-13-12/h7,12-13H,4-6,8-9H2,1-3H3/b11-7+
InChIKeyAFGVJYRZISLBTI-YRNVUSSQSA-N
XLogP2.90
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-4-cyclohexyliminopent-2-en-2-yl]cyclohexanamine
CID 23578229
(Z)-N-pentyl-4-pentyliminopent-2-en-2-amine
CID 162409410
N-[4-(cyclohexen-1-ylimino)hexan-3-yl]cyclohexanamine
CID 54328538
ethane;2-[2-(3H-pyrrol-5-yl)ethyl]piperazine
CID 90763652
2-(cyclohexen-1-ylimino)-N-ethylethanamine
CID 123650187
6-(5-Aminopiperidin-2-yl)-2,5-dihydropyridin-3-amine
CID 124198695
(4S)-1-N-propan-2-ylcyclohexene-1,4-diamine
CID 135231772
2-Butyl-6-ethyl-3,4-dihydropyridin-3-amine
CID 137457218
(2Z)-2-butan-2-ylidene-N-[(Z)-prop-1-enyl]piperidin-3-imine
CID 142833341
(E)-4-methylimino-4-piperidin-4-ylbut-2-en-2-amine;propane
CID 144740227
5-ethyl-3H-pyrrole;methane;molecular hydrogen;1-piperidin-2-ylethenamine
CID 144920999
2-Hexylidenepiperidine
CID 152673608

Frequently Asked Questions

What is the IUPAC name of N-[(E)-4-piperidin-2-ylbut-2-en-2-yl]propan-2-imine?
The IUPAC name of N-[(E)-4-piperidin-2-ylbut-2-en-2-yl]propan-2-imine (CID 123211008) is N-[(E)-4-piperidin-2-ylbut-2-en-2-yl]propan-2-imine.
What is the SMILES notation for N-[(E)-4-piperidin-2-ylbut-2-en-2-yl]propan-2-imine?
The canonical SMILES for N-[(E)-4-piperidin-2-ylbut-2-en-2-yl]propan-2-imine is CC(C)=N/C(C)=C/CC1CCCCN1.
What is the InChIKey of N-[(E)-4-piperidin-2-ylbut-2-en-2-yl]propan-2-imine?
The InChIKey is AFGVJYRZISLBTI-YRNVUSSQSA-N. The full InChI is InChI=1S/C12H22N2/c1-10(2)14-11(3)7-8-12-6-4-5-9-13-12/h7,12-13H,4-6,8-9H2,1-3H3/b11-7+.
What are the key properties of N-[(E)-4-piperidin-2-ylbut-2-en-2-yl]propan-2-imine?
N-[(E)-4-piperidin-2-ylbut-2-en-2-yl]propan-2-imine has a molecular weight of 194.32 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-4-piperidin-2-ylbut-2-en-2-yl]propan-2-imine is sourced from PubChem (CID 123211008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).