1-heptyl-4,4-dimethyl-2,3-dihydropyridine

C14H27N — CID 23189964

IUPAC1-heptyl-4,4-dimethyl-2,3-dihydropyridine
SMILESCCCCCCCN1C=CC(C)(C)CC1
InChIInChI=1S/C14H27N/c1-4-5-6-7-8-11-15-12-9-14(2,3)10-13-15/h9,12H,4-8,10-11,13H2,1-3H3
InChIKeyGQAPSDJIHLBKSR-UHFFFAOYSA-N
MW209.38 g/mol
LogP4.20
Rot. Bonds6

About 1-heptyl-4,4-dimethyl-2,3-dihydropyridine

1-heptyl-4,4-dimethyl-2,3-dihydropyridine (PubChem CID 23189964) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is 1-heptyl-4,4-dimethyl-2,3-dihydropyridine.

Molecular Properties

Compound Name1-heptyl-4,4-dimethyl-2,3-dihydropyridine
PubChem CID23189964
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name1-heptyl-4,4-dimethyl-2,3-dihydropyridine
SMILESCCCCCCCN1C=CC(C)(C)CC1
InChIInChI=1S/C14H27N/c1-4-5-6-7-8-11-15-12-9-14(2,3)10-13-15/h9,12H,4-8,10-11,13H2,1-3H3
InChIKeyGQAPSDJIHLBKSR-UHFFFAOYSA-N
XLogP4.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 54.20
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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Frequently Asked Questions

What is the IUPAC name of 1-heptyl-4,4-dimethyl-2,3-dihydropyridine?
The IUPAC name of 1-heptyl-4,4-dimethyl-2,3-dihydropyridine (CID 23189964) is 1-heptyl-4,4-dimethyl-2,3-dihydropyridine.
What is the SMILES notation for 1-heptyl-4,4-dimethyl-2,3-dihydropyridine?
The canonical SMILES for 1-heptyl-4,4-dimethyl-2,3-dihydropyridine is CCCCCCCN1C=CC(C)(C)CC1.
What is the InChIKey of 1-heptyl-4,4-dimethyl-2,3-dihydropyridine?
The InChIKey is GQAPSDJIHLBKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-4-5-6-7-8-11-15-12-9-14(2,3)10-13-15/h9,12H,4-8,10-11,13H2,1-3H3.
What are the key properties of 1-heptyl-4,4-dimethyl-2,3-dihydropyridine?
1-heptyl-4,4-dimethyl-2,3-dihydropyridine has a molecular weight of 209.38 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptyl-4,4-dimethyl-2,3-dihydropyridine is sourced from PubChem (CID 23189964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).