5-(3,5,5-trimethylhexan-3-yl)-2,3-dihydropyridine

C14H25N — CID 166917808

IUPAC5-(3,5,5-trimethylhexan-3-yl)-2,3-dihydropyridine
SMILESCCC(C)(CC(C)(C)C)C1=CCCN=C1
InChIInChI=1S/C14H25N/c1-6-14(5,11-13(2,3)4)12-8-7-9-15-10-12/h8,10H,6-7,9,11H2,1-5H3
InChIKeyVYKJRDHQPKHVTL-UHFFFAOYSA-N
MW207.36 g/mol
LogP4.24
Rot. Bonds3

About 5-(3,5,5-trimethylhexan-3-yl)-2,3-dihydropyridine

5-(3,5,5-trimethylhexan-3-yl)-2,3-dihydropyridine (PubChem CID 166917808) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is 5-(3,5,5-trimethylhexan-3-yl)-2,3-dihydropyridine.

Molecular Properties

Compound Name5-(3,5,5-trimethylhexan-3-yl)-2,3-dihydropyridine
PubChem CID166917808
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name5-(3,5,5-trimethylhexan-3-yl)-2,3-dihydropyridine
SMILESCCC(C)(CC(C)(C)C)C1=CCCN=C1
InChIInChI=1S/C14H25N/c1-6-14(5,11-13(2,3)4)12-8-7-9-15-10-12/h8,10H,6-7,9,11H2,1-5H3
InChIKeyVYKJRDHQPKHVTL-UHFFFAOYSA-N
XLogP4.24
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 ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5,5-trimethylhexan-3-yl)-2,3-dihydropyridine?
The IUPAC name of 5-(3,5,5-trimethylhexan-3-yl)-2,3-dihydropyridine (CID 166917808) is 5-(3,5,5-trimethylhexan-3-yl)-2,3-dihydropyridine.
What is the SMILES notation for 5-(3,5,5-trimethylhexan-3-yl)-2,3-dihydropyridine?
The canonical SMILES for 5-(3,5,5-trimethylhexan-3-yl)-2,3-dihydropyridine is CCC(C)(CC(C)(C)C)C1=CCCN=C1.
What is the InChIKey of 5-(3,5,5-trimethylhexan-3-yl)-2,3-dihydropyridine?
The InChIKey is VYKJRDHQPKHVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-6-14(5,11-13(2,3)4)12-8-7-9-15-10-12/h8,10H,6-7,9,11H2,1-5H3.
What are the key properties of 5-(3,5,5-trimethylhexan-3-yl)-2,3-dihydropyridine?
5-(3,5,5-trimethylhexan-3-yl)-2,3-dihydropyridine has a molecular weight of 207.36 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5,5-trimethylhexan-3-yl)-2,3-dihydropyridine is sourced from PubChem (CID 166917808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).