2-hexyl-5-methyl-4-propan-2-yl-2,3-dihydropyridine

C15H27N — CID 174305705

IUPAC2-hexyl-5-methyl-4-propan-2-yl-2,3-dihydropyridine
SMILESCCCCCCC1CC(C(C)C)=C(C)C=N1
InChIInChI=1S/C15H27N/c1-5-6-7-8-9-14-10-15(12(2)3)13(4)11-16-14/h11-12,14H,5-10H2,1-4H3
InChIKeyASAIIEGEWDOEKP-UHFFFAOYSA-N
MW221.39 g/mol
LogP4.77
Rot. Bonds6

About 2-hexyl-5-methyl-4-propan-2-yl-2,3-dihydropyridine

2-hexyl-5-methyl-4-propan-2-yl-2,3-dihydropyridine (PubChem CID 174305705) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is 2-hexyl-5-methyl-4-propan-2-yl-2,3-dihydropyridine.

Molecular Properties

Compound Name2-hexyl-5-methyl-4-propan-2-yl-2,3-dihydropyridine
PubChem CID174305705
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name2-hexyl-5-methyl-4-propan-2-yl-2,3-dihydropyridine
SMILESCCCCCCC1CC(C(C)C)=C(C)C=N1
InChIInChI=1S/C15H27N/c1-5-6-7-8-9-14-10-15(12(2)3)13(4)11-16-14/h11-12,14H,5-10H2,1-4H3
InChIKeyASAIIEGEWDOEKP-UHFFFAOYSA-N
XLogP4.77
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 54.77
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 2-hexyl-5-methyl-4-propan-2-yl-2,3-dihydropyridine?
The IUPAC name of 2-hexyl-5-methyl-4-propan-2-yl-2,3-dihydropyridine (CID 174305705) is 2-hexyl-5-methyl-4-propan-2-yl-2,3-dihydropyridine.
What is the SMILES notation for 2-hexyl-5-methyl-4-propan-2-yl-2,3-dihydropyridine?
The canonical SMILES for 2-hexyl-5-methyl-4-propan-2-yl-2,3-dihydropyridine is CCCCCCC1CC(C(C)C)=C(C)C=N1.
What is the InChIKey of 2-hexyl-5-methyl-4-propan-2-yl-2,3-dihydropyridine?
The InChIKey is ASAIIEGEWDOEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N/c1-5-6-7-8-9-14-10-15(12(2)3)13(4)11-16-14/h11-12,14H,5-10H2,1-4H3.
What are the key properties of 2-hexyl-5-methyl-4-propan-2-yl-2,3-dihydropyridine?
2-hexyl-5-methyl-4-propan-2-yl-2,3-dihydropyridine has a molecular weight of 221.39 g/mol, XLogP of 4.77, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-5-methyl-4-propan-2-yl-2,3-dihydropyridine is sourced from PubChem (CID 174305705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).