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

C10H17N — CID 166850848

IUPAC5-butan-2-yl-3-methyl-3,4-dihydropyridine
SMILESCCC(C)C1=CN=CC(C)C1
InChIInChI=1S/C10H17N/c1-4-9(3)10-5-8(2)6-11-7-10/h6-9H,4-5H2,1-3H3
InChIKeyVTXMWKYNTWMDCJ-UHFFFAOYSA-N
MW151.25 g/mol
LogP3.03
Rot. Bonds2

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

5-butan-2-yl-3-methyl-3,4-dihydropyridine (PubChem CID 166850848) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 5-butan-2-yl-3-methyl-3,4-dihydropyridine.

Molecular Properties

Compound Name5-butan-2-yl-3-methyl-3,4-dihydropyridine
PubChem CID166850848
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name5-butan-2-yl-3-methyl-3,4-dihydropyridine
SMILESCCC(C)C1=CN=CC(C)C1
InChIInChI=1S/C10H17N/c1-4-9(3)10-5-8(2)6-11-7-10/h6-9H,4-5H2,1-3H3
InChIKeyVTXMWKYNTWMDCJ-UHFFFAOYSA-N
XLogP3.03
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-3-methyl-3,4-dihydropyridine?
The IUPAC name of 5-butan-2-yl-3-methyl-3,4-dihydropyridine (CID 166850848) is 5-butan-2-yl-3-methyl-3,4-dihydropyridine.
What is the SMILES notation for 5-butan-2-yl-3-methyl-3,4-dihydropyridine?
The canonical SMILES for 5-butan-2-yl-3-methyl-3,4-dihydropyridine is CCC(C)C1=CN=CC(C)C1.
What is the InChIKey of 5-butan-2-yl-3-methyl-3,4-dihydropyridine?
The InChIKey is VTXMWKYNTWMDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-4-9(3)10-5-8(2)6-11-7-10/h6-9H,4-5H2,1-3H3.
What are the key properties of 5-butan-2-yl-3-methyl-3,4-dihydropyridine?
5-butan-2-yl-3-methyl-3,4-dihydropyridine has a molecular weight of 151.25 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-3-methyl-3,4-dihydropyridine is sourced from PubChem (CID 166850848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).