1-(5-bromo-2-pyridinyl)-4-methyl-1,4-diazepane

C11H16BrN3 — CID 59292213

IUPAC1-(5-bromo-2-pyridinyl)-4-methyl-1,4-diazepane
SMILESCN1CCCN(c2ccc(Br)cn2)CC1
InChIInChI=1S/C11H16BrN3/c1-14-5-2-6-15(8-7-14)11-4-3-10(12)9-13-11/h3-4,9H,2,5-8H2,1H3
InChIKeyCBSOWSJDGZPLHL-UHFFFAOYSA-N
MW270.17 g/mol
LogP1.99
Rot. Bonds1

About 1-(5-bromo-2-pyridinyl)-4-methyl-1,4-diazepane

1-(5-bromo-2-pyridinyl)-4-methyl-1,4-diazepane (PubChem CID 59292213) has the molecular formula C11H16BrN3 and a molecular weight of 270.17 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-4-methyl-1,4-diazepane.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-4-methyl-1,4-diazepane
PubChem CID59292213
Molecular FormulaC11H16BrN3
Molecular Weight270.17 g/mol
Exact Mass269.05
IUPAC Name1-(5-bromo-2-pyridinyl)-4-methyl-1,4-diazepane
SMILESCN1CCCN(c2ccc(Br)cn2)CC1
InChIInChI=1S/C11H16BrN3/c1-14-5-2-6-15(8-7-14)11-4-3-10(12)9-13-11/h3-4,9H,2,5-8H2,1H3
InChIKeyCBSOWSJDGZPLHL-UHFFFAOYSA-N
XLogP1.99
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(4-bromo-2-pyridinyl)-4-methyl-1,4-diazepane
CID 118140327
3-[4-(5-bromo-2-pyridinyl)-1,4-diazepan-1-yl]propan-1-amine
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6-(4-methyl-1,4-diazepan-1-yl)pyridine-3-carbothioamide
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1-methyl-4-pyridin-2-yl-1,4-diazepane
CID 11790022
2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]ethanamine
CID 60869692
1-(5-tert-butyl-2-pyridinyl)-4-methylpiperazine
CID 58798727
5-bromo-2-(2,5-dihydropyrrol-1-yl)pyridine
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CID 829355

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-4-methyl-1,4-diazepane?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-4-methyl-1,4-diazepane (CID 59292213) is 1-(5-bromo-2-pyridinyl)-4-methyl-1,4-diazepane.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-4-methyl-1,4-diazepane?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-4-methyl-1,4-diazepane is CN1CCCN(c2ccc(Br)cn2)CC1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-4-methyl-1,4-diazepane?
The InChIKey is CBSOWSJDGZPLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3/c1-14-5-2-6-15(8-7-14)11-4-3-10(12)9-13-11/h3-4,9H,2,5-8H2,1H3.
What are the key properties of 1-(5-bromo-2-pyridinyl)-4-methyl-1,4-diazepane?
1-(5-bromo-2-pyridinyl)-4-methyl-1,4-diazepane has a molecular weight of 270.17 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)-4-methyl-1,4-diazepane is sourced from PubChem (CID 59292213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).