2-methyl-5-propyl-3,4-dihydropyridine

C9H15N — CID 131983398

IUPAC2-methyl-5-propyl-3,4-dihydropyridine
SMILESCCCC1=CN=C(C)CC1
InChIInChI=1S/C9H15N/c1-3-4-9-6-5-8(2)10-7-9/h7H,3-6H2,1-2H3
InChIKeyVTYJAHGRIQITBF-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.93
Rot. Bonds2

About 2-methyl-5-propyl-3,4-dihydropyridine

2-methyl-5-propyl-3,4-dihydropyridine (PubChem CID 131983398) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 2-methyl-5-propyl-3,4-dihydropyridine.

Molecular Properties

Compound Name2-methyl-5-propyl-3,4-dihydropyridine
PubChem CID131983398
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name2-methyl-5-propyl-3,4-dihydropyridine
SMILESCCCC1=CN=C(C)CC1
InChIInChI=1S/C9H15N/c1-3-4-9-6-5-8(2)10-7-9/h7H,3-6H2,1-2H3
InChIKeyVTYJAHGRIQITBF-UHFFFAOYSA-N
XLogP2.93
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-propyl-3,4-dihydropyridine?
The IUPAC name of 2-methyl-5-propyl-3,4-dihydropyridine (CID 131983398) is 2-methyl-5-propyl-3,4-dihydropyridine.
What is the SMILES notation for 2-methyl-5-propyl-3,4-dihydropyridine?
The canonical SMILES for 2-methyl-5-propyl-3,4-dihydropyridine is CCCC1=CN=C(C)CC1.
What is the InChIKey of 2-methyl-5-propyl-3,4-dihydropyridine?
The InChIKey is VTYJAHGRIQITBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-3-4-9-6-5-8(2)10-7-9/h7H,3-6H2,1-2H3.
What are the key properties of 2-methyl-5-propyl-3,4-dihydropyridine?
2-methyl-5-propyl-3,4-dihydropyridine has a molecular weight of 137.23 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-propyl-3,4-dihydropyridine is sourced from PubChem (CID 131983398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).