N-(3-bromo-5-methyl-2-pyridinyl)azepan-3-amine

C12H18BrN3 — CID 105367341

IUPACN-(3-bromo-5-methyl-2-pyridinyl)azepan-3-amine
SMILESCc1cnc(NC2CCCCNC2)c(Br)c1
InChIInChI=1S/C12H18BrN3/c1-9-6-11(13)12(15-7-9)16-10-4-2-3-5-14-8-10/h6-7,10,14H,2-5,8H2,1H3,(H,15,16)
InChIKeyUWUSNJADDKSXJV-UHFFFAOYSA-N
MW284.20 g/mol
LogP2.71
Rot. Bonds2

About N-(3-bromo-5-methyl-2-pyridinyl)azepan-3-amine

N-(3-bromo-5-methyl-2-pyridinyl)azepan-3-amine (PubChem CID 105367341) has the molecular formula C12H18BrN3 and a molecular weight of 284.20 g/mol. Its IUPAC name is N-(3-bromo-5-methyl-2-pyridinyl)azepan-3-amine.

Molecular Properties

Compound NameN-(3-bromo-5-methyl-2-pyridinyl)azepan-3-amine
PubChem CID105367341
Molecular FormulaC12H18BrN3
Molecular Weight284.20 g/mol
Exact Mass283.07
IUPAC NameN-(3-bromo-5-methyl-2-pyridinyl)azepan-3-amine
SMILESCc1cnc(NC2CCCCNC2)c(Br)c1
InChIInChI=1S/C12H18BrN3/c1-9-6-11(13)12(15-7-9)16-10-4-2-3-5-14-8-10/h6-7,10,14H,2-5,8H2,1H3,(H,15,16)
InChIKeyUWUSNJADDKSXJV-UHFFFAOYSA-N
XLogP2.71
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-cyclobutyl-5-methylpyridin-2-amine
CID 105366896
3-bromo-5-methyl-N-(pyrrolidin-3-ylmethyl)pyridin-2-amine
CID 105367397
3-bromo-N-(1,1-dioxothian-4-yl)-5-methylpyridin-2-amine
CID 105366729
5-bromo-6-methyl-N-piperidin-3-ylpyrimidin-4-amine
CID 83844973
3-bromo-N-(1-cyclohexylethyl)-5-methylpyridin-2-amine
CID 105366898
3-bromo-N-[(4S)-4-methoxypyrrolidin-3-yl]-5-methylpyridin-2-amine
CID 105367263
5-bromo-2-methylsulfanyl-N-[(3S)-piperidin-3-yl]pyrimidin-4-amine
CID 58177241
ethyl 4-[(3-bromo-5-methyl-2-pyridinyl)amino]piperidine-1-carboxylate
CID 105366689
3-bromo-N-(cyclohexylmethyl)-5-methylpyridin-2-amine
CID 105366700
3-methyl-N-piperidin-3-ylpyrazin-2-amine;hydrochloride
CID 71639312
3-[(3-bromo-5-methyl-2-pyridinyl)amino]piperidine-2,6-dione
CID 105367016
N-(4-methoxy-6-methylpyrimidin-2-yl)azepan-3-amine
CID 112634935

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methyl-2-pyridinyl)azepan-3-amine?
The IUPAC name of N-(3-bromo-5-methyl-2-pyridinyl)azepan-3-amine (CID 105367341) is N-(3-bromo-5-methyl-2-pyridinyl)azepan-3-amine.
What is the SMILES notation for N-(3-bromo-5-methyl-2-pyridinyl)azepan-3-amine?
The canonical SMILES for N-(3-bromo-5-methyl-2-pyridinyl)azepan-3-amine is Cc1cnc(NC2CCCCNC2)c(Br)c1.
What is the InChIKey of N-(3-bromo-5-methyl-2-pyridinyl)azepan-3-amine?
The InChIKey is UWUSNJADDKSXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3/c1-9-6-11(13)12(15-7-9)16-10-4-2-3-5-14-8-10/h6-7,10,14H,2-5,8H2,1H3,(H,15,16).
What are the key properties of N-(3-bromo-5-methyl-2-pyridinyl)azepan-3-amine?
N-(3-bromo-5-methyl-2-pyridinyl)azepan-3-amine has a molecular weight of 284.20 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-methyl-2-pyridinyl)azepan-3-amine is sourced from PubChem (CID 105367341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).