5-methyl-1-pentan-2-yl-6-propyl-3,4-dihydropyridin-1-ium

C14H26N+ — CID 165392059

IUPAC5-methyl-1-pentan-2-yl-6-propyl-3,4-dihydropyridin-1-ium
SMILESCCCC1=C(C)CCC=[N+]1C(C)CCC
InChIInChI=1S/C14H26N/c1-5-8-13(4)15-11-7-10-12(3)14(15)9-6-2/h11,13H,5-10H2,1-4H3/q+1
InChIKeyCDEZYCUUZUWOEG-UHFFFAOYSA-N
MW208.37 g/mol
LogP4.13
Rot. Bonds5

About 5-methyl-1-pentan-2-yl-6-propyl-3,4-dihydropyridin-1-ium

5-methyl-1-pentan-2-yl-6-propyl-3,4-dihydropyridin-1-ium (PubChem CID 165392059) has the molecular formula C14H26N+ and a molecular weight of 208.37 g/mol. Its IUPAC name is 5-methyl-1-pentan-2-yl-6-propyl-3,4-dihydropyridin-1-ium.

Molecular Properties

Compound Name5-methyl-1-pentan-2-yl-6-propyl-3,4-dihydropyridin-1-ium
PubChem CID165392059
Molecular FormulaC14H26N+
Molecular Weight208.37 g/mol
Exact Mass208.21
IUPAC Name5-methyl-1-pentan-2-yl-6-propyl-3,4-dihydropyridin-1-ium
SMILESCCCC1=C(C)CCC=[N+]1C(C)CCC
InChIInChI=1S/C14H26N/c1-5-8-13(4)15-11-7-10-12(3)14(15)9-6-2/h11,13H,5-10H2,1-4H3/q+1
InChIKeyCDEZYCUUZUWOEG-UHFFFAOYSA-N
XLogP4.13
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.37
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-5-(2-fluorobutan-2-yl)-1,6-dimethyl-2H-pyrazine
CID 138702880
5-Propan-2-yl-3,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
CID 58315252
1,4,5-tri(propan-2-yl)-3H-pyrrol-1-ium
CID 60087447
1-methyl-5,6-dipropyl-2H-pyrazine
CID 70010315
1,4,5,6-Tetramethyl-3,4-dihydropyridin-1-ium
CID 118916334
N,N,5,6-tetramethyl-3,4-dihydropyridin-4-amine
CID 123171611
N-[1-(1-ethylpiperidin-4-ylidene)propyl]ethanimine
CID 123416110
Ethane;6-ethyl-5-methyl-3,4-dihydropyridine
CID 142548905
5,6-Dimethyl-3,4-dihydropyridine;ethane
CID 143782330
5-Methyl-6-(2-methylpropyl)-3,4-dihydropyridine
CID 144302642
N-ethyl-N-[(5-methyl-3,4-dihydropyridin-6-yl)methyl]ethanamine
CID 145520154

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-pentan-2-yl-6-propyl-3,4-dihydropyridin-1-ium?
The IUPAC name of 5-methyl-1-pentan-2-yl-6-propyl-3,4-dihydropyridin-1-ium (CID 165392059) is 5-methyl-1-pentan-2-yl-6-propyl-3,4-dihydropyridin-1-ium.
What is the SMILES notation for 5-methyl-1-pentan-2-yl-6-propyl-3,4-dihydropyridin-1-ium?
The canonical SMILES for 5-methyl-1-pentan-2-yl-6-propyl-3,4-dihydropyridin-1-ium is CCCC1=C(C)CCC=[N+]1C(C)CCC.
What is the InChIKey of 5-methyl-1-pentan-2-yl-6-propyl-3,4-dihydropyridin-1-ium?
The InChIKey is CDEZYCUUZUWOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N/c1-5-8-13(4)15-11-7-10-12(3)14(15)9-6-2/h11,13H,5-10H2,1-4H3/q+1.
What are the key properties of 5-methyl-1-pentan-2-yl-6-propyl-3,4-dihydropyridin-1-ium?
5-methyl-1-pentan-2-yl-6-propyl-3,4-dihydropyridin-1-ium has a molecular weight of 208.37 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-pentan-2-yl-6-propyl-3,4-dihydropyridin-1-ium is sourced from PubChem (CID 165392059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).