5-butan-2-yl-2-cyclopropyloxy-6-methyl-3,4-dihydropyridine

C13H21NO — CID 130455708

IUPAC5-butan-2-yl-2-cyclopropyloxy-6-methyl-3,4-dihydropyridine
SMILESCCC(C)C1=C(C)N=C(OC2CC2)CC1
InChIInChI=1S/C13H21NO/c1-4-9(2)12-7-8-13(14-10(12)3)15-11-5-6-11/h9,11H,4-8H2,1-3H3
InChIKeyGPRMXPDIWAKTLR-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.68
Rot. Bonds3

About 5-butan-2-yl-2-cyclopropyloxy-6-methyl-3,4-dihydropyridine

5-butan-2-yl-2-cyclopropyloxy-6-methyl-3,4-dihydropyridine (PubChem CID 130455708) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 5-butan-2-yl-2-cyclopropyloxy-6-methyl-3,4-dihydropyridine.

Molecular Properties

Compound Name5-butan-2-yl-2-cyclopropyloxy-6-methyl-3,4-dihydropyridine
PubChem CID130455708
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name5-butan-2-yl-2-cyclopropyloxy-6-methyl-3,4-dihydropyridine
SMILESCCC(C)C1=C(C)N=C(OC2CC2)CC1
InChIInChI=1S/C13H21NO/c1-4-9(2)12-7-8-13(14-10(12)3)15-11-5-6-11/h9,11H,4-8H2,1-3H3
InChIKeyGPRMXPDIWAKTLR-UHFFFAOYSA-N
XLogP3.68
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-cyclopropyloxy-6-methyl-3,4-dihydropyridine?
The IUPAC name of 5-butan-2-yl-2-cyclopropyloxy-6-methyl-3,4-dihydropyridine (CID 130455708) is 5-butan-2-yl-2-cyclopropyloxy-6-methyl-3,4-dihydropyridine.
What is the SMILES notation for 5-butan-2-yl-2-cyclopropyloxy-6-methyl-3,4-dihydropyridine?
The canonical SMILES for 5-butan-2-yl-2-cyclopropyloxy-6-methyl-3,4-dihydropyridine is CCC(C)C1=C(C)N=C(OC2CC2)CC1.
What is the InChIKey of 5-butan-2-yl-2-cyclopropyloxy-6-methyl-3,4-dihydropyridine?
The InChIKey is GPRMXPDIWAKTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-9(2)12-7-8-13(14-10(12)3)15-11-5-6-11/h9,11H,4-8H2,1-3H3.
What are the key properties of 5-butan-2-yl-2-cyclopropyloxy-6-methyl-3,4-dihydropyridine?
5-butan-2-yl-2-cyclopropyloxy-6-methyl-3,4-dihydropyridine has a molecular weight of 207.32 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-2-cyclopropyloxy-6-methyl-3,4-dihydropyridine is sourced from PubChem (CID 130455708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).