1,4,5-tri(propan-2-yl)-3,4-dihydro-2H-pyridine

C14H27N — CID 58977274

IUPAC1,4,5-tri(propan-2-yl)-3,4-dihydro-2H-pyridine
SMILESCC(C)C1=CN(C(C)C)CCC1C(C)C
InChIInChI=1S/C14H27N/c1-10(2)13-7-8-15(12(5)6)9-14(13)11(3)4/h9-13H,7-8H2,1-6H3
InChIKeyRXTUTSYKWKLRFR-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.91
Rot. Bonds3

About 1,4,5-tri(propan-2-yl)-3,4-dihydro-2H-pyridine

1,4,5-tri(propan-2-yl)-3,4-dihydro-2H-pyridine (PubChem CID 58977274) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is 1,4,5-tri(propan-2-yl)-3,4-dihydro-2H-pyridine.

Molecular Properties

Compound Name1,4,5-tri(propan-2-yl)-3,4-dihydro-2H-pyridine
PubChem CID58977274
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name1,4,5-tri(propan-2-yl)-3,4-dihydro-2H-pyridine
SMILESCC(C)C1=CN(C(C)C)CCC1C(C)C
InChIInChI=1S/C14H27N/c1-10(2)13-7-8-15(12(5)6)9-14(13)11(3)4/h9-13H,7-8H2,1-6H3
InChIKeyRXTUTSYKWKLRFR-UHFFFAOYSA-N
XLogP3.91
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 ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,4,5-tri(propan-2-yl)-3,4-dihydro-2H-pyridine?
The IUPAC name of 1,4,5-tri(propan-2-yl)-3,4-dihydro-2H-pyridine (CID 58977274) is 1,4,5-tri(propan-2-yl)-3,4-dihydro-2H-pyridine.
What is the SMILES notation for 1,4,5-tri(propan-2-yl)-3,4-dihydro-2H-pyridine?
The canonical SMILES for 1,4,5-tri(propan-2-yl)-3,4-dihydro-2H-pyridine is CC(C)C1=CN(C(C)C)CCC1C(C)C.
What is the InChIKey of 1,4,5-tri(propan-2-yl)-3,4-dihydro-2H-pyridine?
The InChIKey is RXTUTSYKWKLRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-10(2)13-7-8-15(12(5)6)9-14(13)11(3)4/h9-13H,7-8H2,1-6H3.
What are the key properties of 1,4,5-tri(propan-2-yl)-3,4-dihydro-2H-pyridine?
1,4,5-tri(propan-2-yl)-3,4-dihydro-2H-pyridine has a molecular weight of 209.38 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5-tri(propan-2-yl)-3,4-dihydro-2H-pyridine is sourced from PubChem (CID 58977274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).