5-(3-methylbutyl)-3,4-dihydropyridine

C10H17N — CID 155365942

IUPAC5-(3-methylbutyl)-3,4-dihydropyridine
SMILESCC(C)CCC1=CN=CCC1
InChIInChI=1S/C10H17N/c1-9(2)5-6-10-4-3-7-11-8-10/h7-9H,3-6H2,1-2H3
InChIKeyXZTPMPNGZAHELP-UHFFFAOYSA-N
MW151.25 g/mol
LogP3.17
Rot. Bonds3

About 5-(3-methylbutyl)-3,4-dihydropyridine

5-(3-methylbutyl)-3,4-dihydropyridine (PubChem CID 155365942) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 5-(3-methylbutyl)-3,4-dihydropyridine.

Molecular Properties

Compound Name5-(3-methylbutyl)-3,4-dihydropyridine
PubChem CID155365942
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name5-(3-methylbutyl)-3,4-dihydropyridine
SMILESCC(C)CCC1=CN=CCC1
InChIInChI=1S/C10H17N/c1-9(2)5-6-10-4-3-7-11-8-10/h7-9H,3-6H2,1-2H3
InChIKeyXZTPMPNGZAHELP-UHFFFAOYSA-N
XLogP3.17
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methylbutyl)-3,4-dihydropyridine?
The IUPAC name of 5-(3-methylbutyl)-3,4-dihydropyridine (CID 155365942) is 5-(3-methylbutyl)-3,4-dihydropyridine.
What is the SMILES notation for 5-(3-methylbutyl)-3,4-dihydropyridine?
The canonical SMILES for 5-(3-methylbutyl)-3,4-dihydropyridine is CC(C)CCC1=CN=CCC1.
What is the InChIKey of 5-(3-methylbutyl)-3,4-dihydropyridine?
The InChIKey is XZTPMPNGZAHELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-9(2)5-6-10-4-3-7-11-8-10/h7-9H,3-6H2,1-2H3.
What are the key properties of 5-(3-methylbutyl)-3,4-dihydropyridine?
5-(3-methylbutyl)-3,4-dihydropyridine has a molecular weight of 151.25 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylbutyl)-3,4-dihydropyridine is sourced from PubChem (CID 155365942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).