3,5-dipentyl-1,4-dihydropyridine

C15H27N — CID 67760563

IUPAC3,5-dipentyl-1,4-dihydropyridine
SMILESCCCCCC1=CNC=C(CCCCC)C1
InChIInChI=1S/C15H27N/c1-3-5-7-9-14-11-15(13-16-12-14)10-8-6-4-2/h12-13,16H,3-11H2,1-2H3
InChIKeyAHTKPNUIUPOHQN-UHFFFAOYSA-N
MW221.39 g/mol
LogP4.91
Rot. Bonds8

About 3,5-dipentyl-1,4-dihydropyridine

3,5-dipentyl-1,4-dihydropyridine (PubChem CID 67760563) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is 3,5-dipentyl-1,4-dihydropyridine.

Molecular Properties

Compound Name3,5-dipentyl-1,4-dihydropyridine
PubChem CID67760563
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name3,5-dipentyl-1,4-dihydropyridine
SMILESCCCCCC1=CNC=C(CCCCC)C1
InChIInChI=1S/C15H27N/c1-3-5-7-9-14-11-15(13-16-12-14)10-8-6-4-2/h12-13,16H,3-11H2,1-2H3
InChIKeyAHTKPNUIUPOHQN-UHFFFAOYSA-N
XLogP4.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 54.91
H-Bond Donors ≤ 51
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 3,5-dipentyl-1,4-dihydropyridine?
The IUPAC name of 3,5-dipentyl-1,4-dihydropyridine (CID 67760563) is 3,5-dipentyl-1,4-dihydropyridine.
What is the SMILES notation for 3,5-dipentyl-1,4-dihydropyridine?
The canonical SMILES for 3,5-dipentyl-1,4-dihydropyridine is CCCCCC1=CNC=C(CCCCC)C1.
What is the InChIKey of 3,5-dipentyl-1,4-dihydropyridine?
The InChIKey is AHTKPNUIUPOHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N/c1-3-5-7-9-14-11-15(13-16-12-14)10-8-6-4-2/h12-13,16H,3-11H2,1-2H3.
What are the key properties of 3,5-dipentyl-1,4-dihydropyridine?
3,5-dipentyl-1,4-dihydropyridine has a molecular weight of 221.39 g/mol, XLogP of 4.91, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dipentyl-1,4-dihydropyridine is sourced from PubChem (CID 67760563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).