5-bromo-N-(cyclopentylmethyl)-N-methylpyridin-3-amine

C12H17BrN2 — CID 115657325

IUPAC5-bromo-N-(cyclopentylmethyl)-N-methylpyridin-3-amine
SMILESCN(CC1CCCC1)c1cncc(Br)c1
InChIInChI=1S/C12H17BrN2/c1-15(9-10-4-2-3-5-10)12-6-11(13)7-14-8-12/h6-8,10H,2-5,9H2,1H3
InChIKeyJDHKANGIWWRWOA-UHFFFAOYSA-N
MW269.19 g/mol
LogP3.47
Rot. Bonds3

About 5-bromo-N-(cyclopentylmethyl)-N-methylpyridin-3-amine

5-bromo-N-(cyclopentylmethyl)-N-methylpyridin-3-amine (PubChem CID 115657325) has the molecular formula C12H17BrN2 and a molecular weight of 269.19 g/mol. Its IUPAC name is 5-bromo-N-(cyclopentylmethyl)-N-methylpyridin-3-amine.

Molecular Properties

Compound Name5-bromo-N-(cyclopentylmethyl)-N-methylpyridin-3-amine
PubChem CID115657325
Molecular FormulaC12H17BrN2
Molecular Weight269.19 g/mol
Exact Mass268.06
IUPAC Name5-bromo-N-(cyclopentylmethyl)-N-methylpyridin-3-amine
SMILESCN(CC1CCCC1)c1cncc(Br)c1
InChIInChI=1S/C12H17BrN2/c1-15(9-10-4-2-3-5-10)12-6-11(13)7-14-8-12/h6-8,10H,2-5,9H2,1H3
InChIKeyJDHKANGIWWRWOA-UHFFFAOYSA-N
XLogP3.47
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.19
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-3-amine
CID 104531843
5-N-(cyclobutylmethyl)-3-N-ethyl-5-N-methylpyridine-3,5-diamine
CID 104534351
5-bromo-N-cyclopentyl-N-ethylpyridin-3-amine
CID 104531564
3-bromo-5-[cyclohexylmethyl(methyl)amino]benzoic acid
CID 102822872
5-bromo-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-3-amine
CID 104531756
5-bromo-N-ethyl-N-(piperidin-3-ylmethyl)pyridin-3-amine
CID 114194260
3-(aminomethyl)-5-bromo-N-(cyclobutylmethyl)-N-methylpyridin-2-amine
CID 62855860
5-bromo-N-(cyclopentylmethyl)-N,4-dimethylpyridin-2-amine
CID 114870435
5-bromo-N-cyclopropyl-N-propylpyridin-3-amine
CID 104531553
N-[(4-aminocyclohexyl)methyl]-2-bromo-N-methylpyrimidin-5-amine
CID 58437743
5-bromo-N-(piperidin-4-ylmethyl)-N-propylpyridin-3-amine
CID 114194238
1-[1-(5-bromo-3-pyridinyl)piperidin-4-yl]-N,N-dimethylmethanamine
CID 112695195

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(cyclopentylmethyl)-N-methylpyridin-3-amine?
The IUPAC name of 5-bromo-N-(cyclopentylmethyl)-N-methylpyridin-3-amine (CID 115657325) is 5-bromo-N-(cyclopentylmethyl)-N-methylpyridin-3-amine.
What is the SMILES notation for 5-bromo-N-(cyclopentylmethyl)-N-methylpyridin-3-amine?
The canonical SMILES for 5-bromo-N-(cyclopentylmethyl)-N-methylpyridin-3-amine is CN(CC1CCCC1)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-(cyclopentylmethyl)-N-methylpyridin-3-amine?
The InChIKey is JDHKANGIWWRWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2/c1-15(9-10-4-2-3-5-10)12-6-11(13)7-14-8-12/h6-8,10H,2-5,9H2,1H3.
What are the key properties of 5-bromo-N-(cyclopentylmethyl)-N-methylpyridin-3-amine?
5-bromo-N-(cyclopentylmethyl)-N-methylpyridin-3-amine has a molecular weight of 269.19 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(cyclopentylmethyl)-N-methylpyridin-3-amine is sourced from PubChem (CID 115657325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).