[1-(5-bromo-2-pyridinyl)azepan-2-yl]methanamine

C12H18BrN3 — CID 116640188

IUPAC[1-(5-bromo-2-pyridinyl)azepan-2-yl]methanamine
SMILESNCC1CCCCCN1c1ccc(Br)cn1
InChIInChI=1S/C12H18BrN3/c13-10-5-6-12(15-9-10)16-7-3-1-2-4-11(16)8-14/h5-6,9,11H,1-4,7-8,14H2
InChIKeyUSOFKYRNJCZABF-UHFFFAOYSA-N
MW284.20 g/mol
LogP2.55
Rot. Bonds2

About [1-(5-bromo-2-pyridinyl)azepan-2-yl]methanamine

[1-(5-bromo-2-pyridinyl)azepan-2-yl]methanamine (PubChem CID 116640188) has the molecular formula C12H18BrN3 and a molecular weight of 284.20 g/mol. Its IUPAC name is [1-(5-bromo-2-pyridinyl)azepan-2-yl]methanamine.

Molecular Properties

Compound Name[1-(5-bromo-2-pyridinyl)azepan-2-yl]methanamine
PubChem CID116640188
Molecular FormulaC12H18BrN3
Molecular Weight284.20 g/mol
Exact Mass283.07
IUPAC Name[1-(5-bromo-2-pyridinyl)azepan-2-yl]methanamine
SMILESNCC1CCCCCN1c1ccc(Br)cn1
InChIInChI=1S/C12H18BrN3/c13-10-5-6-12(15-9-10)16-7-3-1-2-4-11(16)8-14/h5-6,9,11H,1-4,7-8,14H2
InChIKeyUSOFKYRNJCZABF-UHFFFAOYSA-N
XLogP2.55
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-(5-bromo-2-pyridinyl)azepan-2-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(5-tert-butyl-2-pyridinyl)azepan-2-yl]methanamine
CID 107875713
[1-(5-bromopyrimidin-2-yl)piperidin-2-yl]methanamine
CID 63872286
5-bromo-2-[2-(3-chloropropyl)pyrrolidin-1-yl]pyridine
CID 63390154
tert-butyl N-[[1-(5-bromo-2-pyridinyl)piperidin-2-yl]methyl]carbamate
CID 71632208
6-[2-(aminomethyl)azepan-1-yl]pyridazine-3-carboxamide
CID 116640255
[2-(aminomethyl)piperidin-1-yl]-(5-bromo-2-pyridinyl)methanone
CID 62957995
1-(5-bromo-2-pyridinyl)azocane
CID 55137358
[1-(6-bromo-2-pyridinyl)pyrrolidin-2-yl]methanamine
CID 71644668
(1-pyridin-4-ylazepan-2-yl)methanamine
CID 116640201
5-bromo-2-piperidin-1-ylpyridine;hydrochloride
CID 53217409
4-[2-(aminomethyl)piperidin-1-yl]-N,N-dimethylpyrimidin-2-amine
CID 64830681
1-[6-(2-ethylpiperidin-1-yl)-3-pyridinyl]propan-2-amine
CID 80633955

Frequently Asked Questions

What is the IUPAC name of [1-(5-bromo-2-pyridinyl)azepan-2-yl]methanamine?
The IUPAC name of [1-(5-bromo-2-pyridinyl)azepan-2-yl]methanamine (CID 116640188) is [1-(5-bromo-2-pyridinyl)azepan-2-yl]methanamine.
What is the SMILES notation for [1-(5-bromo-2-pyridinyl)azepan-2-yl]methanamine?
The canonical SMILES for [1-(5-bromo-2-pyridinyl)azepan-2-yl]methanamine is NCC1CCCCCN1c1ccc(Br)cn1.
What is the InChIKey of [1-(5-bromo-2-pyridinyl)azepan-2-yl]methanamine?
The InChIKey is USOFKYRNJCZABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3/c13-10-5-6-12(15-9-10)16-7-3-1-2-4-11(16)8-14/h5-6,9,11H,1-4,7-8,14H2.
What are the key properties of [1-(5-bromo-2-pyridinyl)azepan-2-yl]methanamine?
[1-(5-bromo-2-pyridinyl)azepan-2-yl]methanamine has a molecular weight of 284.20 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-bromo-2-pyridinyl)azepan-2-yl]methanamine is sourced from PubChem (CID 116640188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).