5-bromo-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridin-3-amine

C15H21BrN2 — CID 113423563

IUPAC5-bromo-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridin-3-amine
SMILESCC12CCC(C1)C(C)(C)C2Nc1cncc(Br)c1
InChIInChI=1S/C15H21BrN2/c1-14(2)10-4-5-15(3,7-10)13(14)18-12-6-11(16)8-17-9-12/h6,8-10,13,18H,4-5,7H2,1-3H3
InChIKeyWPBQKLBALQQIGM-UHFFFAOYSA-N
MW309.25 g/mol
LogP4.47
Rot. Bonds2

About 5-bromo-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridin-3-amine

5-bromo-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridin-3-amine (PubChem CID 113423563) has the molecular formula C15H21BrN2 and a molecular weight of 309.25 g/mol. Its IUPAC name is 5-bromo-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridin-3-amine
PubChem CID113423563
Molecular FormulaC15H21BrN2
Molecular Weight309.25 g/mol
Exact Mass308.09
IUPAC Name5-bromo-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridin-3-amine
SMILESCC12CCC(C1)C(C)(C)C2Nc1cncc(Br)c1
InChIInChI=1S/C15H21BrN2/c1-14(2)10-4-5-15(3,7-10)13(14)18-12-6-11(16)8-17-9-12/h6,8-10,13,18H,4-5,7H2,1-3H3
InChIKeyWPBQKLBALQQIGM-UHFFFAOYSA-N
XLogP4.47
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.25
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-bromo-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridin-3-amine with MolForge

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Related Compounds

(1R,2R,3S,4S)-N-methyl-3-pyridin-3-ylbicyclo[2.2.1]heptan-2-amine
CID 155537329
(1S,2R,3S,4R)-N-methyl-3-pyridin-3-ylbicyclo[2.2.1]heptan-2-amine
CID 155553632
1,7,7-Trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine
CID 43222714
1,7,7-trimethyl-N-(2-pyridin-2-ylethyl)bicyclo[2.2.1]heptan-2-amine
CID 60647869
1,3,3-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine
CID 64465620
(1R,2R)-1,7,7-trimethyl-N-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine
CID 178326254
6-(trifluoromethyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridin-3-amine
CID 82793667
6-(trifluoromethyl)-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]pyridin-3-amine
CID 82794127
6-(trifluoromethyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridin-3-amine
CID 82794764
N-[1-(5-fluoro-2-pyridinyl)ethyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 83118407
N-[1-(5-fluoro-2-pyridinyl)ethyl]-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 83118557
6-fluoro-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridin-3-amine
CID 108201628

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridin-3-amine?
The IUPAC name of 5-bromo-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridin-3-amine (CID 113423563) is 5-bromo-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridin-3-amine.
What is the SMILES notation for 5-bromo-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridin-3-amine?
The canonical SMILES for 5-bromo-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridin-3-amine is CC12CCC(C1)C(C)(C)C2Nc1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridin-3-amine?
The InChIKey is WPBQKLBALQQIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2/c1-14(2)10-4-5-15(3,7-10)13(14)18-12-6-11(16)8-17-9-12/h6,8-10,13,18H,4-5,7H2,1-3H3.
What are the key properties of 5-bromo-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridin-3-amine?
5-bromo-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridin-3-amine has a molecular weight of 309.25 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridin-3-amine is sourced from PubChem (CID 113423563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).