4-hexa-2,4-dien-3-yl-1,2,3,6-tetrahydropyridine

C11H17N — CID 123651212

IUPAC4-hexa-2,4-dien-3-yl-1,2,3,6-tetrahydropyridine
SMILESCC=CC(=CC)C1=CCNCC1
InChIInChI=1S/C11H17N/c1-3-5-10(4-2)11-6-8-12-9-7-11/h3-6,12H,7-9H2,1-2H3
InChIKeyBVBBSUYFHWCJFO-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.43
Rot. Bonds2

About 4-hexa-2,4-dien-3-yl-1,2,3,6-tetrahydropyridine

4-hexa-2,4-dien-3-yl-1,2,3,6-tetrahydropyridine (PubChem CID 123651212) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 4-hexa-2,4-dien-3-yl-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-hexa-2,4-dien-3-yl-1,2,3,6-tetrahydropyridine
PubChem CID123651212
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name4-hexa-2,4-dien-3-yl-1,2,3,6-tetrahydropyridine
SMILESCC=CC(=CC)C1=CCNCC1
InChIInChI=1S/C11H17N/c1-3-5-10(4-2)11-6-8-12-9-7-11/h3-6,12H,7-9H2,1-2H3
InChIKeyBVBBSUYFHWCJFO-UHFFFAOYSA-N
XLogP2.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S,6S)-2,6-diallyl-4-methyl-1,2,3,6-tetrahydropyridinium
CID 16193239
2,6-Diallyl-4-methyl-1,2,3,6-tetrahydropyridine
CID 2859356
N'-[4-(cyclohexa-1,3-dien-1-ylmethylamino)butyl]butane-1,4-diamine;trihydrochloride
CID 45265695
(R)-(E,E)-2-(1,3-pentadienyl)piperidine
CID 139585096
1-(Cyclohexa-1,4-dien-1-yl)-N-methylpropan-2-amine
CID 57487843
(2S,6S)-2,6-Diallyl-4-methyl-1,2,3,6-tetrahydropyridine
CID 2063692
6-Methyl-N-(prop-2-en-1-yl)hept-5-en-2-amine
CID 20850
N'-[(6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl]pentane-1,5-diamine
CID 156010185
4-Ethyl-1,2,3,6-tetrahydropyridine
CID 21473622
Methyl[(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)methyl]amine
CID 178190289
(2S,6R)-4-methyl-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine
CID 1272098
2,6-Bis-(2-methyl-allyl)-1,2,3,6-tetrahydro-pyridine
CID 3123936

Frequently Asked Questions

What is the IUPAC name of 4-hexa-2,4-dien-3-yl-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-hexa-2,4-dien-3-yl-1,2,3,6-tetrahydropyridine (CID 123651212) is 4-hexa-2,4-dien-3-yl-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-hexa-2,4-dien-3-yl-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-hexa-2,4-dien-3-yl-1,2,3,6-tetrahydropyridine is CC=CC(=CC)C1=CCNCC1.
What is the InChIKey of 4-hexa-2,4-dien-3-yl-1,2,3,6-tetrahydropyridine?
The InChIKey is BVBBSUYFHWCJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-3-5-10(4-2)11-6-8-12-9-7-11/h3-6,12H,7-9H2,1-2H3.
What are the key properties of 4-hexa-2,4-dien-3-yl-1,2,3,6-tetrahydropyridine?
4-hexa-2,4-dien-3-yl-1,2,3,6-tetrahydropyridine has a molecular weight of 163.26 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexa-2,4-dien-3-yl-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 123651212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).