4-[(1-butylcyclohexa-2,4-dien-1-yl)methyl]pyridine

C16H21N — CID 151759391

IUPAC4-[(1-butylcyclohexa-2,4-dien-1-yl)methyl]pyridine
SMILESCCCCC1(Cc2ccncc2)C=CC=CC1
InChIInChI=1S/C16H21N/c1-2-3-9-16(10-5-4-6-11-16)14-15-7-12-17-13-8-15/h4-8,10,12-13H,2-3,9,11,14H2,1H3
InChIKeyRQFVYTGYQCKCSC-UHFFFAOYSA-N
MW227.35 g/mol
LogP4.32
Rot. Bonds5

About 4-[(1-butylcyclohexa-2,4-dien-1-yl)methyl]pyridine

4-[(1-butylcyclohexa-2,4-dien-1-yl)methyl]pyridine (PubChem CID 151759391) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is 4-[(1-butylcyclohexa-2,4-dien-1-yl)methyl]pyridine.

Molecular Properties

Compound Name4-[(1-butylcyclohexa-2,4-dien-1-yl)methyl]pyridine
PubChem CID151759391
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC Name4-[(1-butylcyclohexa-2,4-dien-1-yl)methyl]pyridine
SMILESCCCCC1(Cc2ccncc2)C=CC=CC1
InChIInChI=1S/C16H21N/c1-2-3-9-16(10-5-4-6-11-16)14-15-7-12-17-13-8-15/h4-8,10,12-13H,2-3,9,11,14H2,1H3
InChIKeyRQFVYTGYQCKCSC-UHFFFAOYSA-N
XLogP4.32
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(1-hexadecylcyclohexa-2,4-dien-1-yl)methyl]-3,5-dinitrobenzene
CID 141175624
1-hexan-2-yl-2-[(1-tridecylcyclohexa-2,4-dien-1-yl)methyl]imidazole
CID 69406244
N,N-dimethyl-1-(1-octadecylcyclohexa-2,4-dien-1-yl)methanamine;hydrochloride
CID 175492807
1-[(1-dodecylcyclohexa-2,4-dien-1-yl)methyl]-4,5-dihydroimidazole
CID 160960493
1-ethyl-3-[(1-ethylcyclohexa-2,4-dien-1-yl)methyl]benzene
CID 150985591
1-(1-benzylcyclohexa-2,4-dien-1-yl)hexan-1-one
CID 175608884
(1-butylcyclohexa-2,4-dien-1-yl)phosphonic acid
CID 150403255
2,6,6-tributylcyclohexa-1,3-diene
CID 152708300
4-butyl-1-(pyridin-4-ylmethyl)cyclohexane-1-carboxylic acid
CID 79426310
(3-butylcyclopenta-2,4-dien-1-yl)-(1-propylcyclohexa-2,4-dien-1-yl)silane;titanium(4+);trichloride
CID 159874355
4-(2-chloro-3-methylhexyl)pyridine
CID 66459985
tributyl(pyridin-4-yl)silane
CID 19887258

Frequently Asked Questions

What is the IUPAC name of 4-[(1-butylcyclohexa-2,4-dien-1-yl)methyl]pyridine?
The IUPAC name of 4-[(1-butylcyclohexa-2,4-dien-1-yl)methyl]pyridine (CID 151759391) is 4-[(1-butylcyclohexa-2,4-dien-1-yl)methyl]pyridine.
What is the SMILES notation for 4-[(1-butylcyclohexa-2,4-dien-1-yl)methyl]pyridine?
The canonical SMILES for 4-[(1-butylcyclohexa-2,4-dien-1-yl)methyl]pyridine is CCCCC1(Cc2ccncc2)C=CC=CC1.
What is the InChIKey of 4-[(1-butylcyclohexa-2,4-dien-1-yl)methyl]pyridine?
The InChIKey is RQFVYTGYQCKCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N/c1-2-3-9-16(10-5-4-6-11-16)14-15-7-12-17-13-8-15/h4-8,10,12-13H,2-3,9,11,14H2,1H3.
What are the key properties of 4-[(1-butylcyclohexa-2,4-dien-1-yl)methyl]pyridine?
4-[(1-butylcyclohexa-2,4-dien-1-yl)methyl]pyridine has a molecular weight of 227.35 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-butylcyclohexa-2,4-dien-1-yl)methyl]pyridine is sourced from PubChem (CID 151759391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).