4,5,6-tri(propan-2-yl)-2,3-dihydropyridine

C14H25N — CID 58365477

IUPAC4,5,6-tri(propan-2-yl)-2,3-dihydropyridine
SMILESCC(C)C1=NCCC(C(C)C)=C1C(C)C
InChIInChI=1S/C14H25N/c1-9(2)12-7-8-15-14(11(5)6)13(12)10(3)4/h9-11H,7-8H2,1-6H3
InChIKeyAZKHKMVPJDAOIR-UHFFFAOYSA-N
MW207.36 g/mol
LogP4.10
Rot. Bonds3

About 4,5,6-tri(propan-2-yl)-2,3-dihydropyridine

4,5,6-tri(propan-2-yl)-2,3-dihydropyridine (PubChem CID 58365477) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is 4,5,6-tri(propan-2-yl)-2,3-dihydropyridine.

Molecular Properties

Compound Name4,5,6-tri(propan-2-yl)-2,3-dihydropyridine
PubChem CID58365477
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name4,5,6-tri(propan-2-yl)-2,3-dihydropyridine
SMILESCC(C)C1=NCCC(C(C)C)=C1C(C)C
InChIInChI=1S/C14H25N/c1-9(2)12-7-8-15-14(11(5)6)13(12)10(3)4/h9-11H,7-8H2,1-6H3
InChIKeyAZKHKMVPJDAOIR-UHFFFAOYSA-N
XLogP4.10
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,5,6-tri(propan-2-yl)-2,3-dihydropyridine?
The IUPAC name of 4,5,6-tri(propan-2-yl)-2,3-dihydropyridine (CID 58365477) is 4,5,6-tri(propan-2-yl)-2,3-dihydropyridine.
What is the SMILES notation for 4,5,6-tri(propan-2-yl)-2,3-dihydropyridine?
The canonical SMILES for 4,5,6-tri(propan-2-yl)-2,3-dihydropyridine is CC(C)C1=NCCC(C(C)C)=C1C(C)C.
What is the InChIKey of 4,5,6-tri(propan-2-yl)-2,3-dihydropyridine?
The InChIKey is AZKHKMVPJDAOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-9(2)12-7-8-15-14(11(5)6)13(12)10(3)4/h9-11H,7-8H2,1-6H3.
What are the key properties of 4,5,6-tri(propan-2-yl)-2,3-dihydropyridine?
4,5,6-tri(propan-2-yl)-2,3-dihydropyridine has a molecular weight of 207.36 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6-tri(propan-2-yl)-2,3-dihydropyridine is sourced from PubChem (CID 58365477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).