(E)-N-(1-ethyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)hex-2-en-1-imine

C14H24N2 — CID 170633779

IUPAC(E)-N-(1-ethyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)hex-2-en-1-imine
SMILESCCC/C=C/C=N/C1=C(C)CCN(CC)C1
InChIInChI=1S/C14H24N2/c1-4-6-7-8-10-15-14-12-16(5-2)11-9-13(14)3/h7-8,10H,4-6,9,11-12H2,1-3H3/b8-7+,15-10+
InChIKeyVWSUMPDTEMGMFY-ARADJAMMSA-N
MW220.36 g/mol
LogP3.41
Rot. Bonds5

About (E)-N-(1-ethyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)hex-2-en-1-imine

(E)-N-(1-ethyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)hex-2-en-1-imine (PubChem CID 170633779) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is (E)-N-(1-ethyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)hex-2-en-1-imine.

Molecular Properties

Compound Name(E)-N-(1-ethyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)hex-2-en-1-imine
PubChem CID170633779
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name(E)-N-(1-ethyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)hex-2-en-1-imine
SMILESCCC/C=C/C=N/C1=C(C)CCN(CC)C1
InChIInChI=1S/C14H24N2/c1-4-6-7-8-10-15-14-12-16(5-2)11-9-13(14)3/h7-8,10H,4-6,9,11-12H2,1-3H3/b8-7+,15-10+
InChIKeyVWSUMPDTEMGMFY-ARADJAMMSA-N
XLogP3.41
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(1-ethyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)hex-2-en-1-imine?
The IUPAC name of (E)-N-(1-ethyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)hex-2-en-1-imine (CID 170633779) is (E)-N-(1-ethyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)hex-2-en-1-imine.
What is the SMILES notation for (E)-N-(1-ethyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)hex-2-en-1-imine?
The canonical SMILES for (E)-N-(1-ethyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)hex-2-en-1-imine is CCC/C=C/C=N/C1=C(C)CCN(CC)C1.
What is the InChIKey of (E)-N-(1-ethyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)hex-2-en-1-imine?
The InChIKey is VWSUMPDTEMGMFY-ARADJAMMSA-N. The full InChI is InChI=1S/C14H24N2/c1-4-6-7-8-10-15-14-12-16(5-2)11-9-13(14)3/h7-8,10H,4-6,9,11-12H2,1-3H3/b8-7+,15-10+.
What are the key properties of (E)-N-(1-ethyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)hex-2-en-1-imine?
(E)-N-(1-ethyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)hex-2-en-1-imine has a molecular weight of 220.36 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1-ethyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)hex-2-en-1-imine is sourced from PubChem (CID 170633779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).