(E)-N-ethyl-3-piperidin-2-ylpent-2-en-1-imine

C12H22N2 — CID 145285267

IUPAC(E)-N-ethyl-3-piperidin-2-ylpent-2-en-1-imine
SMILESCC/N=C/C=C(\CC)C1CCCCN1
InChIInChI=1S/C12H22N2/c1-3-11(8-10-13-4-2)12-7-5-6-9-14-12/h8,10,12,14H,3-7,9H2,1-2H3/b11-8+,13-10+
InChIKeyQJLFALJBVNJALV-QLVLWNPDSA-N
MW194.32 g/mol
LogP2.56
Rot. Bonds4

About (E)-N-ethyl-3-piperidin-2-ylpent-2-en-1-imine

(E)-N-ethyl-3-piperidin-2-ylpent-2-en-1-imine (PubChem CID 145285267) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is (E)-N-ethyl-3-piperidin-2-ylpent-2-en-1-imine.

Molecular Properties

Compound Name(E)-N-ethyl-3-piperidin-2-ylpent-2-en-1-imine
PubChem CID145285267
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name(E)-N-ethyl-3-piperidin-2-ylpent-2-en-1-imine
SMILESCC/N=C/C=C(\CC)C1CCCCN1
InChIInChI=1S/C12H22N2/c1-3-11(8-10-13-4-2)12-7-5-6-9-14-12/h8,10,12,14H,3-7,9H2,1-2H3/b11-8+,13-10+
InChIKeyQJLFALJBVNJALV-QLVLWNPDSA-N
XLogP2.56
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.56
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

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2-Piperidin-2-yl-2,3-dihydropyridine
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1-[1-(2,3-Dihydropyridin-4-yl)propyl]piperazine
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2-(2-Butan-2-ylidenepiperidin-3-ylidene)ethylidene-dimethylazanium
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3-(2,3-dihydropyridin-4-yl)-N-methylpropan-1-amine
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N-[(2-methyl-3,4-dihydro-2H-azepin-5-yl)methyl]prop-1-en-2-amine
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ethene;1-[(4E)-4-[(Z)-4-iminobut-2-enylidene]piperidin-2-yl]-N-methylmethanamine
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Frequently Asked Questions

What is the IUPAC name of (E)-N-ethyl-3-piperidin-2-ylpent-2-en-1-imine?
The IUPAC name of (E)-N-ethyl-3-piperidin-2-ylpent-2-en-1-imine (CID 145285267) is (E)-N-ethyl-3-piperidin-2-ylpent-2-en-1-imine.
What is the SMILES notation for (E)-N-ethyl-3-piperidin-2-ylpent-2-en-1-imine?
The canonical SMILES for (E)-N-ethyl-3-piperidin-2-ylpent-2-en-1-imine is CC/N=C/C=C(\CC)C1CCCCN1.
What is the InChIKey of (E)-N-ethyl-3-piperidin-2-ylpent-2-en-1-imine?
The InChIKey is QJLFALJBVNJALV-QLVLWNPDSA-N. The full InChI is InChI=1S/C12H22N2/c1-3-11(8-10-13-4-2)12-7-5-6-9-14-12/h8,10,12,14H,3-7,9H2,1-2H3/b11-8+,13-10+.
What are the key properties of (E)-N-ethyl-3-piperidin-2-ylpent-2-en-1-imine?
(E)-N-ethyl-3-piperidin-2-ylpent-2-en-1-imine has a molecular weight of 194.32 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-3-piperidin-2-ylpent-2-en-1-imine is sourced from PubChem (CID 145285267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).