3-methyl-6-(2-propylpentyl)-1,2-dihydropyridine

C14H25N — CID 130245173

IUPAC3-methyl-6-(2-propylpentyl)-1,2-dihydropyridine
SMILESCCCC(CCC)CC1=CC=C(C)CN1
InChIInChI=1S/C14H25N/c1-4-6-13(7-5-2)10-14-9-8-12(3)11-15-14/h8-9,13,15H,4-7,10-11H2,1-3H3
InChIKeySOHOSOABVVHTQI-UHFFFAOYSA-N
MW207.36 g/mol
LogP4.03
Rot. Bonds6

About 3-methyl-6-(2-propylpentyl)-1,2-dihydropyridine

3-methyl-6-(2-propylpentyl)-1,2-dihydropyridine (PubChem CID 130245173) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is 3-methyl-6-(2-propylpentyl)-1,2-dihydropyridine.

Molecular Properties

Compound Name3-methyl-6-(2-propylpentyl)-1,2-dihydropyridine
PubChem CID130245173
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name3-methyl-6-(2-propylpentyl)-1,2-dihydropyridine
SMILESCCCC(CCC)CC1=CC=C(C)CN1
InChIInChI=1S/C14H25N/c1-4-6-13(7-5-2)10-14-9-8-12(3)11-15-14/h8-9,13,15H,4-7,10-11H2,1-3H3
InChIKeySOHOSOABVVHTQI-UHFFFAOYSA-N
XLogP4.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(2-propylpentyl)-1,2-dihydropyridine?
The IUPAC name of 3-methyl-6-(2-propylpentyl)-1,2-dihydropyridine (CID 130245173) is 3-methyl-6-(2-propylpentyl)-1,2-dihydropyridine.
What is the SMILES notation for 3-methyl-6-(2-propylpentyl)-1,2-dihydropyridine?
The canonical SMILES for 3-methyl-6-(2-propylpentyl)-1,2-dihydropyridine is CCCC(CCC)CC1=CC=C(C)CN1.
What is the InChIKey of 3-methyl-6-(2-propylpentyl)-1,2-dihydropyridine?
The InChIKey is SOHOSOABVVHTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-4-6-13(7-5-2)10-14-9-8-12(3)11-15-14/h8-9,13,15H,4-7,10-11H2,1-3H3.
What are the key properties of 3-methyl-6-(2-propylpentyl)-1,2-dihydropyridine?
3-methyl-6-(2-propylpentyl)-1,2-dihydropyridine has a molecular weight of 207.36 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(2-propylpentyl)-1,2-dihydropyridine is sourced from PubChem (CID 130245173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).