5-heptan-2-yl-2-methyl-2,3-dihydropyridine

C13H23N — CID 166963520

IUPAC5-heptan-2-yl-2-methyl-2,3-dihydropyridine
SMILESCCCCCC(C)C1=CCC(C)N=C1
InChIInChI=1S/C13H23N/c1-4-5-6-7-11(2)13-9-8-12(3)14-10-13/h9-12H,4-8H2,1-3H3
InChIKeyNKTFECYRCFFBQD-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.99
Rot. Bonds5

About 5-heptan-2-yl-2-methyl-2,3-dihydropyridine

5-heptan-2-yl-2-methyl-2,3-dihydropyridine (PubChem CID 166963520) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 5-heptan-2-yl-2-methyl-2,3-dihydropyridine.

Molecular Properties

Compound Name5-heptan-2-yl-2-methyl-2,3-dihydropyridine
PubChem CID166963520
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name5-heptan-2-yl-2-methyl-2,3-dihydropyridine
SMILESCCCCCC(C)C1=CCC(C)N=C1
InChIInChI=1S/C13H23N/c1-4-5-6-7-11(2)13-9-8-12(3)14-10-13/h9-12H,4-8H2,1-3H3
InChIKeyNKTFECYRCFFBQD-UHFFFAOYSA-N
XLogP3.99
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-heptan-2-yl-1,6-dimethylcyclohexa-2,4-dien-1-ol
CID 151332612
dodecan-2-yl(trimethyl)silane
CID 11425039
3-(4-butoxyphenyl)-6-octan-2-ylpyridazine;3-(4-heptoxyphenyl)-6-octan-2-ylpyridazine;3-(4-hexoxyphenyl)-6-octan-2-ylpyridazine;3-octan-2-yl-6-(4-octoxyphenyl)pyridazine;3-octan-2-yl-6-(4-pentoxyphenyl)pyridazine
CID 173405543
1-(2-methylheptyl)cyclopropene
CID 22621699
1-heptan-2-yl-2-methylcyclopropane
CID 91084036
2-dodecan-2-yl-5,5-dimethyl-1,4-dihydroimidazole
CID 19825947
5-octadecan-2-yl-1H-1,2,4-triazole
CID 157179819
2-decan-2-yl-1-nonadecan-2-ylimidazole
CID 69408162
1-nonadecan-2-yl-2-tridecan-2-ylimidazole
CID 69408935
1-octan-2-yl-2-tridecan-2-ylimidazole
CID 69409116
4-heptan-2-yl-2-(4-heptoxyphenyl)pyrimidine
CID 70441655
2-[4-(9-methyldecyl)phenyl]-5-undecoxypyrimidine
CID 139625203

Frequently Asked Questions

What is the IUPAC name of 5-heptan-2-yl-2-methyl-2,3-dihydropyridine?
The IUPAC name of 5-heptan-2-yl-2-methyl-2,3-dihydropyridine (CID 166963520) is 5-heptan-2-yl-2-methyl-2,3-dihydropyridine.
What is the SMILES notation for 5-heptan-2-yl-2-methyl-2,3-dihydropyridine?
The canonical SMILES for 5-heptan-2-yl-2-methyl-2,3-dihydropyridine is CCCCCC(C)C1=CCC(C)N=C1.
What is the InChIKey of 5-heptan-2-yl-2-methyl-2,3-dihydropyridine?
The InChIKey is NKTFECYRCFFBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-4-5-6-7-11(2)13-9-8-12(3)14-10-13/h9-12H,4-8H2,1-3H3.
What are the key properties of 5-heptan-2-yl-2-methyl-2,3-dihydropyridine?
5-heptan-2-yl-2-methyl-2,3-dihydropyridine has a molecular weight of 193.33 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-heptan-2-yl-2-methyl-2,3-dihydropyridine is sourced from PubChem (CID 166963520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).