1-(5-bromo-6-methyl-2-pyridinyl)-4-propylazepane

C15H23BrN2 — CID 114047629

IUPAC1-(5-bromo-6-methyl-2-pyridinyl)-4-propylazepane
SMILESCCCC1CCCN(c2ccc(Br)c(C)n2)CC1
InChIInChI=1S/C15H23BrN2/c1-3-5-13-6-4-10-18(11-9-13)15-8-7-14(16)12(2)17-15/h7-8,13H,3-6,9-11H2,1-2H3
InChIKeyGFPDUMFXCVSRKP-UHFFFAOYSA-N
MW311.27 g/mol
LogP4.56
Rot. Bonds3

About 1-(5-bromo-6-methyl-2-pyridinyl)-4-propylazepane

1-(5-bromo-6-methyl-2-pyridinyl)-4-propylazepane (PubChem CID 114047629) has the molecular formula C15H23BrN2 and a molecular weight of 311.27 g/mol. Its IUPAC name is 1-(5-bromo-6-methyl-2-pyridinyl)-4-propylazepane.

Molecular Properties

Compound Name1-(5-bromo-6-methyl-2-pyridinyl)-4-propylazepane
PubChem CID114047629
Molecular FormulaC15H23BrN2
Molecular Weight311.27 g/mol
Exact Mass310.10
IUPAC Name1-(5-bromo-6-methyl-2-pyridinyl)-4-propylazepane
SMILESCCCC1CCCN(c2ccc(Br)c(C)n2)CC1
InChIInChI=1S/C15H23BrN2/c1-3-5-13-6-4-10-18(11-9-13)15-8-7-14(16)12(2)17-15/h7-8,13H,3-6,9-11H2,1-2H3
InChIKeyGFPDUMFXCVSRKP-UHFFFAOYSA-N
XLogP4.56
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-6-methyl-2-pyridinyl)-4-ethylpiperazine
CID 75487705
1-(5-bromo-6-methyl-2-pyridinyl)piperidine-3-carboxylic acid
CID 120964839
1-(3-bromo-5-methyl-2-pyridinyl)-4-propylazepane
CID 105367961
2-fluoro-6-(4-propylpiperidin-1-yl)pyridine
CID 62205633
ethyl 4-(5-bromo-6-methyl-2-pyridinyl)piperazine-1-carboxylate
CID 103915053
4-bromo-2-(4-propylazepan-1-yl)-1,3-thiazole
CID 79398816
(2R)-1-(5-bromo-6-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 120965105
1-[1-(5-bromo-6-methyl-2-pyridinyl)piperidin-4-yl]-1,3-diazinan-2-one
CID 133451492
5-(5-bromo-6-methyl-2-pyridinyl)-5-azaspiro[2.5]octane
CID 133481074
1-[2-(bromomethyl)-4-methylphenyl]-4-propylazepane
CID 114054707
N-ethyl-6-(4-propylazepan-1-yl)pyrimidin-4-amine
CID 80837648
[6-(4-propylpiperidin-1-yl)-2-pyridinyl]hydrazine
CID 80908275

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-6-methyl-2-pyridinyl)-4-propylazepane?
The IUPAC name of 1-(5-bromo-6-methyl-2-pyridinyl)-4-propylazepane (CID 114047629) is 1-(5-bromo-6-methyl-2-pyridinyl)-4-propylazepane.
What is the SMILES notation for 1-(5-bromo-6-methyl-2-pyridinyl)-4-propylazepane?
The canonical SMILES for 1-(5-bromo-6-methyl-2-pyridinyl)-4-propylazepane is CCCC1CCCN(c2ccc(Br)c(C)n2)CC1.
What is the InChIKey of 1-(5-bromo-6-methyl-2-pyridinyl)-4-propylazepane?
The InChIKey is GFPDUMFXCVSRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2/c1-3-5-13-6-4-10-18(11-9-13)15-8-7-14(16)12(2)17-15/h7-8,13H,3-6,9-11H2,1-2H3.
What are the key properties of 1-(5-bromo-6-methyl-2-pyridinyl)-4-propylazepane?
1-(5-bromo-6-methyl-2-pyridinyl)-4-propylazepane has a molecular weight of 311.27 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-6-methyl-2-pyridinyl)-4-propylazepane is sourced from PubChem (CID 114047629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).