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

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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).