5-bromo-1-(cyclobutylmethyl)-4-methyl-3,6-dihydro-2H-pyridine

C11H18BrN — CID 131176912

IUPAC5-bromo-1-(cyclobutylmethyl)-4-methyl-3,6-dihydro-2H-pyridine
SMILESCC1=C(Br)CN(CC2CCC2)CC1
InChIInChI=1S/C11H18BrN/c1-9-5-6-13(8-11(9)12)7-10-3-2-4-10/h10H,2-8H2,1H3
InChIKeyDVHGQAWTEDVVTI-UHFFFAOYSA-N
MW244.18 g/mol
LogP3.16
Rot. Bonds2

About 5-bromo-1-(cyclobutylmethyl)-4-methyl-3,6-dihydro-2H-pyridine

5-bromo-1-(cyclobutylmethyl)-4-methyl-3,6-dihydro-2H-pyridine (PubChem CID 131176912) has the molecular formula C11H18BrN and a molecular weight of 244.18 g/mol. Its IUPAC name is 5-bromo-1-(cyclobutylmethyl)-4-methyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-bromo-1-(cyclobutylmethyl)-4-methyl-3,6-dihydro-2H-pyridine
PubChem CID131176912
Molecular FormulaC11H18BrN
Molecular Weight244.18 g/mol
Exact Mass243.06
IUPAC Name5-bromo-1-(cyclobutylmethyl)-4-methyl-3,6-dihydro-2H-pyridine
SMILESCC1=C(Br)CN(CC2CCC2)CC1
InChIInChI=1S/C11H18BrN/c1-9-5-6-13(8-11(9)12)7-10-3-2-4-10/h10H,2-8H2,1H3
InChIKeyDVHGQAWTEDVVTI-UHFFFAOYSA-N
XLogP3.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.18
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(cyclobutylmethyl)-4-methyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 5-bromo-1-(cyclobutylmethyl)-4-methyl-3,6-dihydro-2H-pyridine (CID 131176912) is 5-bromo-1-(cyclobutylmethyl)-4-methyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 5-bromo-1-(cyclobutylmethyl)-4-methyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 5-bromo-1-(cyclobutylmethyl)-4-methyl-3,6-dihydro-2H-pyridine is CC1=C(Br)CN(CC2CCC2)CC1.
What is the InChIKey of 5-bromo-1-(cyclobutylmethyl)-4-methyl-3,6-dihydro-2H-pyridine?
The InChIKey is DVHGQAWTEDVVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN/c1-9-5-6-13(8-11(9)12)7-10-3-2-4-10/h10H,2-8H2,1H3.
What are the key properties of 5-bromo-1-(cyclobutylmethyl)-4-methyl-3,6-dihydro-2H-pyridine?
5-bromo-1-(cyclobutylmethyl)-4-methyl-3,6-dihydro-2H-pyridine has a molecular weight of 244.18 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(cyclobutylmethyl)-4-methyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 131176912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).