1,6,6-tri(propan-2-yl)-2,5-dihydropyridine

C14H27N — CID 122598433

IUPAC1,6,6-tri(propan-2-yl)-2,5-dihydropyridine
SMILESCC(C)N1CC=CCC1(C(C)C)C(C)C
InChIInChI=1S/C14H27N/c1-11(2)14(12(3)4)9-7-8-10-15(14)13(5)6/h7-8,11-13H,9-10H2,1-6H3
InChIKeyDQGRWPOLQVXQJI-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.71
Rot. Bonds3

About 1,6,6-tri(propan-2-yl)-2,5-dihydropyridine

1,6,6-tri(propan-2-yl)-2,5-dihydropyridine (PubChem CID 122598433) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is 1,6,6-tri(propan-2-yl)-2,5-dihydropyridine.

Molecular Properties

Compound Name1,6,6-tri(propan-2-yl)-2,5-dihydropyridine
PubChem CID122598433
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name1,6,6-tri(propan-2-yl)-2,5-dihydropyridine
SMILESCC(C)N1CC=CCC1(C(C)C)C(C)C
InChIInChI=1S/C14H27N/c1-11(2)14(12(3)4)9-7-8-10-15(14)13(5)6/h7-8,11-13H,9-10H2,1-6H3
InChIKeyDQGRWPOLQVXQJI-UHFFFAOYSA-N
XLogP3.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,6,6-tri(propan-2-yl)-2,5-dihydropyridine?
The IUPAC name of 1,6,6-tri(propan-2-yl)-2,5-dihydropyridine (CID 122598433) is 1,6,6-tri(propan-2-yl)-2,5-dihydropyridine.
What is the SMILES notation for 1,6,6-tri(propan-2-yl)-2,5-dihydropyridine?
The canonical SMILES for 1,6,6-tri(propan-2-yl)-2,5-dihydropyridine is CC(C)N1CC=CCC1(C(C)C)C(C)C.
What is the InChIKey of 1,6,6-tri(propan-2-yl)-2,5-dihydropyridine?
The InChIKey is DQGRWPOLQVXQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-11(2)14(12(3)4)9-7-8-10-15(14)13(5)6/h7-8,11-13H,9-10H2,1-6H3.
What are the key properties of 1,6,6-tri(propan-2-yl)-2,5-dihydropyridine?
1,6,6-tri(propan-2-yl)-2,5-dihydropyridine has a molecular weight of 209.38 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6,6-tri(propan-2-yl)-2,5-dihydropyridine is sourced from PubChem (CID 122598433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).