2-(4-ethoxypenta-2,4-dien-2-yl)-1,5-dimethyl-4-prop-1-enyl-3,6-dihydro-2H-pyridine

C17H27NO — CID 123719607

IUPAC2-(4-ethoxypenta-2,4-dien-2-yl)-1,5-dimethyl-4-prop-1-enyl-3,6-dihydro-2H-pyridine
SMILESC=C(C=C(C)C1CC(C=CC)=C(C)CN1C)OCC
InChIInChI=1S/C17H27NO/c1-7-9-16-11-17(18(6)12-14(16)4)13(3)10-15(5)19-8-2/h7,9-10,17H,5,8,11-12H2,1-4,6H3
InChIKeyCKYFPQHYQCNDOK-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.08
Rot. Bonds5

About 2-(4-ethoxypenta-2,4-dien-2-yl)-1,5-dimethyl-4-prop-1-enyl-3,6-dihydro-2H-pyridine

2-(4-ethoxypenta-2,4-dien-2-yl)-1,5-dimethyl-4-prop-1-enyl-3,6-dihydro-2H-pyridine (PubChem CID 123719607) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-(4-ethoxypenta-2,4-dien-2-yl)-1,5-dimethyl-4-prop-1-enyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name2-(4-ethoxypenta-2,4-dien-2-yl)-1,5-dimethyl-4-prop-1-enyl-3,6-dihydro-2H-pyridine
PubChem CID123719607
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-(4-ethoxypenta-2,4-dien-2-yl)-1,5-dimethyl-4-prop-1-enyl-3,6-dihydro-2H-pyridine
SMILESC=C(C=C(C)C1CC(C=CC)=C(C)CN1C)OCC
InChIInChI=1S/C17H27NO/c1-7-9-16-11-17(18(6)12-14(16)4)13(3)10-15(5)19-8-2/h7,9-10,17H,5,8,11-12H2,1-4,6H3
InChIKeyCKYFPQHYQCNDOK-UHFFFAOYSA-N
XLogP4.08
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 2-(4-ethoxypenta-2,4-dien-2-yl)-1,5-dimethyl-4-prop-1-enyl-3,6-dihydro-2H-pyridine with MolForge

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Launch Full Analysis

Related Compounds

N-butyl-2-(2-methoxyethylidene)-N-methylcyclohexan-1-amine
CID 70432496
(3E,5S)-2-methoxy-N,N,4,8-tetramethyl-7-methylidenenona-1,3,8-trien-5-amine
CID 89283347
(3E,4Z)-3-[[(2E,4E)-hexa-2,4-dienoxy]methylidene]-N-prop-2-enyl-N-propylhepta-4,6-dien-1-amine
CID 118059284
2-methoxy-N,N,4,8-tetramethyl-7-methylidenenona-1,3,8-trien-5-amine
CID 123630450
N-hexyl-N-[(4-methoxycyclohexa-1,5-dien-1-yl)methyl]hexan-1-amine
CID 138518670
N-methyl-N-[[(3Z,5Z,9E)-2-methyl-8-methylidene-2,7-dihydrooxecin-9-yl]methyl]prop-2-en-1-amine
CID 139539958
(2E)-N-butyl-2-(2-methoxyethylidene)-N-methylcyclohexan-1-amine
CID 140339732
ethane;5-ethenyl-6-[(Z)-3-methoxyprop-1-enyl]-N,N,1-trimethyl-3,4-dihydro-2H-pyridin-4-amine
CID 141781946
N-methyl-3-[(3E,5E)-6-methylnona-1,3,5-trien-3-yl]oxy-N-propylpropan-1-amine
CID 141842638
2-cyclohepta-1,4,6-trien-1-yl-1-[(2Z)-2-[(E)-1-methoxyprop-1-enyl]-4-methylpenta-2,4-dienyl]piperidine
CID 142044157
butane;(Z,2E)-N-ethyl-2-ethylidene-N-hexan-2-yl-5-methoxypent-3-en-1-amine;propane
CID 142549968
N-ethyl-1-(3-methoxycyclohexa-1,3-dien-1-yl)-N-methylpropan-1-amine
CID 145352646

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxypenta-2,4-dien-2-yl)-1,5-dimethyl-4-prop-1-enyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 2-(4-ethoxypenta-2,4-dien-2-yl)-1,5-dimethyl-4-prop-1-enyl-3,6-dihydro-2H-pyridine (CID 123719607) is 2-(4-ethoxypenta-2,4-dien-2-yl)-1,5-dimethyl-4-prop-1-enyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 2-(4-ethoxypenta-2,4-dien-2-yl)-1,5-dimethyl-4-prop-1-enyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 2-(4-ethoxypenta-2,4-dien-2-yl)-1,5-dimethyl-4-prop-1-enyl-3,6-dihydro-2H-pyridine is C=C(C=C(C)C1CC(C=CC)=C(C)CN1C)OCC.
What is the InChIKey of 2-(4-ethoxypenta-2,4-dien-2-yl)-1,5-dimethyl-4-prop-1-enyl-3,6-dihydro-2H-pyridine?
The InChIKey is CKYFPQHYQCNDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-7-9-16-11-17(18(6)12-14(16)4)13(3)10-15(5)19-8-2/h7,9-10,17H,5,8,11-12H2,1-4,6H3.
What are the key properties of 2-(4-ethoxypenta-2,4-dien-2-yl)-1,5-dimethyl-4-prop-1-enyl-3,6-dihydro-2H-pyridine?
2-(4-ethoxypenta-2,4-dien-2-yl)-1,5-dimethyl-4-prop-1-enyl-3,6-dihydro-2H-pyridine has a molecular weight of 261.41 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxypenta-2,4-dien-2-yl)-1,5-dimethyl-4-prop-1-enyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 123719607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).