N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-bromo-4-methylpyridin-2-amine

C15H21BrN2 — CID 114869144

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-bromo-4-methylpyridin-2-amine
SMILESCc1cc(NC(C)C2CC3CCC2C3)ncc1Br
InChIInChI=1S/C15H21BrN2/c1-9-5-15(17-8-14(9)16)18-10(2)13-7-11-3-4-12(13)6-11/h5,8,10-13H,3-4,6-7H2,1-2H3,(H,17,18)
InChIKeyVNZQYTAJXJFFCG-UHFFFAOYSA-N
MW309.25 g/mol
LogP4.39
Rot. Bonds3

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-bromo-4-methylpyridin-2-amine

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-bromo-4-methylpyridin-2-amine (PubChem CID 114869144) has the molecular formula C15H21BrN2 and a molecular weight of 309.25 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-bromo-4-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-bromo-4-methylpyridin-2-amine
PubChem CID114869144
Molecular FormulaC15H21BrN2
Molecular Weight309.25 g/mol
Exact Mass308.09
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-bromo-4-methylpyridin-2-amine
SMILESCc1cc(NC(C)C2CC3CCC2C3)ncc1Br
InChIInChI=1S/C15H21BrN2/c1-9-5-15(17-8-14(9)16)18-10(2)13-7-11-3-4-12(13)6-11/h5,8,10-13H,3-4,6-7H2,1-2H3,(H,17,18)
InChIKeyVNZQYTAJXJFFCG-UHFFFAOYSA-N
XLogP4.39
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.25
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-(1-cyclopropylethyl)-4-methylpyridin-2-amine
CID 115773894
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-chloropyridin-2-amine
CID 43098628
5-bromo-N-(1-cyclohexylethyl)-4-methylpyridin-2-amine
CID 114869260
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-fluoropyrimidin-2-amine
CID 112703061
4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-bromopyridine-3,4-diamine
CID 103517553
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-propoxypyrimidin-4-amine
CID 66325714
4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80956121
6-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N,N-dimethylpyridine-3-carboxamide
CID 79764561
4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80772101
methyl 4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-6-methylpyrimidine-2-carboxylate
CID 66285213
4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80772094
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-fluoropyridin-2-amine
CID 61227813

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-bromo-4-methylpyridin-2-amine?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-bromo-4-methylpyridin-2-amine (CID 114869144) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-bromo-4-methylpyridin-2-amine.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-bromo-4-methylpyridin-2-amine?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-bromo-4-methylpyridin-2-amine is Cc1cc(NC(C)C2CC3CCC2C3)ncc1Br.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-bromo-4-methylpyridin-2-amine?
The InChIKey is VNZQYTAJXJFFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2/c1-9-5-15(17-8-14(9)16)18-10(2)13-7-11-3-4-12(13)6-11/h5,8,10-13H,3-4,6-7H2,1-2H3,(H,17,18).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-bromo-4-methylpyridin-2-amine?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-bromo-4-methylpyridin-2-amine has a molecular weight of 309.25 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-bromo-4-methylpyridin-2-amine is sourced from PubChem (CID 114869144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).