2-[1-[(E)-4-ethyliminobut-2-en-2-yl]piperidin-4-yl]ethanamine

C13H25N3 — CID 143255843

IUPAC2-[1-[(E)-4-ethyliminobut-2-en-2-yl]piperidin-4-yl]ethanamine
SMILESCC/N=C/C=C(\C)N1CCC(CCN)CC1
InChIInChI=1S/C13H25N3/c1-3-15-9-5-12(2)16-10-6-13(4-8-14)7-11-16/h5,9,13H,3-4,6-8,10-11,14H2,1-2H3/b12-5+,15-9+
InChIKeyMISCZAGGDBMLJK-QEOZMODRSA-N
MW223.36 g/mol
LogP2.04
Rot. Bonds5

About 2-[1-[(E)-4-ethyliminobut-2-en-2-yl]piperidin-4-yl]ethanamine

2-[1-[(E)-4-ethyliminobut-2-en-2-yl]piperidin-4-yl]ethanamine (PubChem CID 143255843) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-[1-[(E)-4-ethyliminobut-2-en-2-yl]piperidin-4-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[(E)-4-ethyliminobut-2-en-2-yl]piperidin-4-yl]ethanamine
PubChem CID143255843
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name2-[1-[(E)-4-ethyliminobut-2-en-2-yl]piperidin-4-yl]ethanamine
SMILESCC/N=C/C=C(\C)N1CCC(CCN)CC1
InChIInChI=1S/C13H25N3/c1-3-15-9-5-12(2)16-10-6-13(4-8-14)7-11-16/h5,9,13H,3-4,6-8,10-11,14H2,1-2H3/b12-5+,15-9+
InChIKeyMISCZAGGDBMLJK-QEOZMODRSA-N
XLogP2.04
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-(2,7-diazaspiro[3.5]nonan-2-yl)-N-prop-1-en-2-ylbut-2-en-1-imine
CID 134406368
(Z)-N-(1-piperidin-3-ylethenyl)but-2-en-1-imine
CID 134527720
N-[(Z)-but-2-en-2-yl]-1-piperidin-4-ylethanimine
CID 142088784
ethane;2-[1-[(E)-4-ethyliminobut-2-en-2-yl]piperidin-4-yl]ethanamine
CID 143255842
(Z)-1-(1-ethylpiperidin-4-yl)-3-iminoprop-1-en-1-amine
CID 143506326
2-[1-[(2E,4Z)-1-iminohexa-2,4-dien-3-yl]piperidin-4-yl]-N-methylethanamine
CID 144047417
(E)-N-ethenyl-3-(4-propan-2-ylpiperidin-1-yl)but-2-en-1-imine
CID 155171246
ethane;N-[(Z)-1-piperidin-4-ylbut-1-enyl]ethanimine
CID 156796146
ethane;N-ethenylprop-2-en-1-imine;4-methylpiperidine
CID 169104152
4-(1-Methylpiperidin-4-yl)iminobut-2-en-2-amine
CID 173766079
(Z)-3-imino-1-(1-propan-2-ylpiperidin-4-yl)prop-1-en-1-amine
CID 174265557
2-ethyl-N-[(Z)-4-methyliminobut-2-en-2-yl]pentan-1-amine
CID 177956566

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(E)-4-ethyliminobut-2-en-2-yl]piperidin-4-yl]ethanamine?
The IUPAC name of 2-[1-[(E)-4-ethyliminobut-2-en-2-yl]piperidin-4-yl]ethanamine (CID 143255843) is 2-[1-[(E)-4-ethyliminobut-2-en-2-yl]piperidin-4-yl]ethanamine.
What is the SMILES notation for 2-[1-[(E)-4-ethyliminobut-2-en-2-yl]piperidin-4-yl]ethanamine?
The canonical SMILES for 2-[1-[(E)-4-ethyliminobut-2-en-2-yl]piperidin-4-yl]ethanamine is CC/N=C/C=C(\C)N1CCC(CCN)CC1.
What is the InChIKey of 2-[1-[(E)-4-ethyliminobut-2-en-2-yl]piperidin-4-yl]ethanamine?
The InChIKey is MISCZAGGDBMLJK-QEOZMODRSA-N. The full InChI is InChI=1S/C13H25N3/c1-3-15-9-5-12(2)16-10-6-13(4-8-14)7-11-16/h5,9,13H,3-4,6-8,10-11,14H2,1-2H3/b12-5+,15-9+.
What are the key properties of 2-[1-[(E)-4-ethyliminobut-2-en-2-yl]piperidin-4-yl]ethanamine?
2-[1-[(E)-4-ethyliminobut-2-en-2-yl]piperidin-4-yl]ethanamine has a molecular weight of 223.36 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(E)-4-ethyliminobut-2-en-2-yl]piperidin-4-yl]ethanamine is sourced from PubChem (CID 143255843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).