5-(cyclohexa-1,3-dien-1-ylmethyl)-1-methyl-3,6-dihydro-2H-pyridine

C13H19N — CID 168995095

IUPAC5-(cyclohexa-1,3-dien-1-ylmethyl)-1-methyl-3,6-dihydro-2H-pyridine
SMILESCN1CCC=C(CC2=CC=CCC2)C1
InChIInChI=1S/C13H19N/c1-14-9-5-8-13(11-14)10-12-6-3-2-4-7-12/h2-3,6,8H,4-5,7,9-11H2,1H3
InChIKeyQBUJAFMMYXLFKR-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.91
Rot. Bonds2

About 5-(cyclohexa-1,3-dien-1-ylmethyl)-1-methyl-3,6-dihydro-2H-pyridine

5-(cyclohexa-1,3-dien-1-ylmethyl)-1-methyl-3,6-dihydro-2H-pyridine (PubChem CID 168995095) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 5-(cyclohexa-1,3-dien-1-ylmethyl)-1-methyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-(cyclohexa-1,3-dien-1-ylmethyl)-1-methyl-3,6-dihydro-2H-pyridine
PubChem CID168995095
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name5-(cyclohexa-1,3-dien-1-ylmethyl)-1-methyl-3,6-dihydro-2H-pyridine
SMILESCN1CCC=C(CC2=CC=CCC2)C1
InChIInChI=1S/C13H19N/c1-14-9-5-8-13(11-14)10-12-6-3-2-4-7-12/h2-3,6,8H,4-5,7,9-11H2,1H3
InChIKeyQBUJAFMMYXLFKR-UHFFFAOYSA-N
XLogP2.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclohexa-1,3-dien-1-ylmethyl)-3-methylcyclohexa-1,3-diene
CID 163751542
5-(fluoromethyl)-1-methyl-3,6-dihydro-2H-pyridine
CID 117205570
1-methyl-5-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methoxymethyl]-3,6-dihydro-2H-pyridine
CID 23500777
N,N-dimethyl-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanamine
CID 117205559
5-(chloromethyl)-1-methyl-3,6-dihydro-2H-pyridine;hydrochloride
CID 14615850
O-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]hydroxylamine
CID 117206000
1-methyl-5-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine
CID 117205566
1-methyl-5-(nitrosomethyl)-3,6-dihydro-2H-pyridine
CID 57152000
N-methoxy-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanamine
CID 139581381
[5-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]methanol
CID 91131453
1-(4-methylpentyl)cyclohexa-1,3-diene
CID 19795456
2-methyl-3-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)propanoic acid
CID 117205922

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexa-1,3-dien-1-ylmethyl)-1-methyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 5-(cyclohexa-1,3-dien-1-ylmethyl)-1-methyl-3,6-dihydro-2H-pyridine (CID 168995095) is 5-(cyclohexa-1,3-dien-1-ylmethyl)-1-methyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 5-(cyclohexa-1,3-dien-1-ylmethyl)-1-methyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 5-(cyclohexa-1,3-dien-1-ylmethyl)-1-methyl-3,6-dihydro-2H-pyridine is CN1CCC=C(CC2=CC=CCC2)C1.
What is the InChIKey of 5-(cyclohexa-1,3-dien-1-ylmethyl)-1-methyl-3,6-dihydro-2H-pyridine?
The InChIKey is QBUJAFMMYXLFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-14-9-5-8-13(11-14)10-12-6-3-2-4-7-12/h2-3,6,8H,4-5,7,9-11H2,1H3.
What are the key properties of 5-(cyclohexa-1,3-dien-1-ylmethyl)-1-methyl-3,6-dihydro-2H-pyridine?
5-(cyclohexa-1,3-dien-1-ylmethyl)-1-methyl-3,6-dihydro-2H-pyridine has a molecular weight of 189.30 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexa-1,3-dien-1-ylmethyl)-1-methyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 168995095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).