3-bromo-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridin-4-amine

C15H21BrN2 — CID 113452035

IUPAC3-bromo-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridin-4-amine
SMILESCC12CCC(C1)C(C)(C)C2Nc1ccncc1Br
InChIInChI=1S/C15H21BrN2/c1-14(2)10-4-6-15(3,8-10)13(14)18-12-5-7-17-9-11(12)16/h5,7,9-10,13H,4,6,8H2,1-3H3,(H,17,18)
InChIKeyWUVLKRIDYXFPAH-UHFFFAOYSA-N
MW309.25 g/mol
LogP4.47
Rot. Bonds2

About 3-bromo-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridin-4-amine

3-bromo-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridin-4-amine (PubChem CID 113452035) has the molecular formula C15H21BrN2 and a molecular weight of 309.25 g/mol. Its IUPAC name is 3-bromo-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridin-4-amine.

Molecular Properties

Compound Name3-bromo-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridin-4-amine
PubChem CID113452035
Molecular FormulaC15H21BrN2
Molecular Weight309.25 g/mol
Exact Mass308.09
IUPAC Name3-bromo-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridin-4-amine
SMILESCC12CCC(C1)C(C)(C)C2Nc1ccncc1Br
InChIInChI=1S/C15H21BrN2/c1-14(2)10-4-6-15(3,8-10)13(14)18-12-5-7-17-9-11(12)16/h5,7,9-10,13H,4,6,8H2,1-3H3,(H,17,18)
InChIKeyWUVLKRIDYXFPAH-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 3-bromo-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridin-4-amine 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

(1R,4S)-N-(2-bromo-5-chlorophenyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 115400922
(1R,4S)-N-(4-bromo-2-methylphenyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 115400266
5-bromo-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridin-3-amine
CID 113423563
3-bromo-4-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]benzenecarbothioamide
CID 82787613
(1R,4S)-N-(2-bromo-5-chloro-4-methylphenyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 104723006
4-bromo-1-N,1-N-dimethyl-2-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]benzene-1,2-diamine
CID 115400614
(1R,4S)-N-(5-bromo-2-methoxyphenyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 115400729
3-(methylamino)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridine-4-carboxamide
CID 105070330
4-bromo-2-ethyl-5-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]pyridazin-3-one
CID 114438703
(1R,4S)-1,3,3-trimethyl-N-(1-pyridin-4-ylethyl)bicyclo[2.2.1]heptan-2-amine
CID 115400352
(1R,4S)-N-(2,4-dichlorophenyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 115400265
(1R,4S)-N-(3-bromophenyl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
CID 113302678

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridin-4-amine?
The IUPAC name of 3-bromo-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridin-4-amine (CID 113452035) is 3-bromo-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridin-4-amine.
What is the SMILES notation for 3-bromo-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridin-4-amine?
The canonical SMILES for 3-bromo-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridin-4-amine is CC12CCC(C1)C(C)(C)C2Nc1ccncc1Br.
What is the InChIKey of 3-bromo-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridin-4-amine?
The InChIKey is WUVLKRIDYXFPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2/c1-14(2)10-4-6-15(3,8-10)13(14)18-12-5-7-17-9-11(12)16/h5,7,9-10,13H,4,6,8H2,1-3H3,(H,17,18).
What are the key properties of 3-bromo-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridin-4-amine?
3-bromo-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridin-4-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 3-bromo-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridin-4-amine is sourced from PubChem (CID 113452035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).