6-bromo-N-[2-(cyclohexen-1-yl)ethyl]pyridin-2-amine

C13H17BrN2 — CID 106193831

IUPAC6-bromo-N-[2-(cyclohexen-1-yl)ethyl]pyridin-2-amine
SMILESBrc1cccc(NCCC2=CCCCC2)n1
InChIInChI=1S/C13H17BrN2/c14-12-7-4-8-13(16-12)15-10-9-11-5-2-1-3-6-11/h4-5,7-8H,1-3,6,9-10H2,(H,15,16)
InChIKeyAFPBMFNGXSCONR-UHFFFAOYSA-N
MW281.20 g/mol
LogP4.15
Rot. Bonds4

About 6-bromo-N-[2-(cyclohexen-1-yl)ethyl]pyridin-2-amine

6-bromo-N-[2-(cyclohexen-1-yl)ethyl]pyridin-2-amine (PubChem CID 106193831) has the molecular formula C13H17BrN2 and a molecular weight of 281.20 g/mol. Its IUPAC name is 6-bromo-N-[2-(cyclohexen-1-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name6-bromo-N-[2-(cyclohexen-1-yl)ethyl]pyridin-2-amine
PubChem CID106193831
Molecular FormulaC13H17BrN2
Molecular Weight281.20 g/mol
Exact Mass280.06
IUPAC Name6-bromo-N-[2-(cyclohexen-1-yl)ethyl]pyridin-2-amine
SMILESBrc1cccc(NCCC2=CCCCC2)n1
InChIInChI=1S/C13H17BrN2/c14-12-7-4-8-13(16-12)15-10-9-11-5-2-1-3-6-11/h4-5,7-8H,1-3,6,9-10H2,(H,15,16)
InChIKeyAFPBMFNGXSCONR-UHFFFAOYSA-N
XLogP4.15
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.20
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6-bromo-N-[2-(cyclohexen-1-yl)ethyl]pyridin-2-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

N-[2-(cyclohexen-1-yl)ethyl]quinolin-2-amine
CID 23799237
N-[2-(cyclopenten-1-yl)ethyl]-2-methylpyrimidin-4-amine
CID 103844199
6-chloro-N-[2-(cyclohexen-1-yl)ethyl]pyrazin-2-amine
CID 103606961
N-[2-(cyclohexen-1-yl)ethyl]-2-piperidin-1-ylpyrimidin-4-amine
CID 112884620
4-N-(2-bromophenyl)-2-N-[2-(cyclohexen-1-yl)ethyl]pyrimidine-2,4-diamine
CID 112885642
N-[2-(cyclohexen-1-yl)ethyl]-5-hydrazinylpyridin-2-amine
CID 82055043
6-N-[2-(cyclohexen-1-yl)ethyl]-4-N-(3-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112869429
2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112885561
6-bromo-N-[2-(2-fluorophenyl)ethyl]pyridin-2-amine
CID 63963216
2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112885560
4-N-[2-(cyclohexen-1-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine
CID 112854487
2-N-[2-(cyclohexen-1-yl)ethyl]-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112885542

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[2-(cyclohexen-1-yl)ethyl]pyridin-2-amine?
The IUPAC name of 6-bromo-N-[2-(cyclohexen-1-yl)ethyl]pyridin-2-amine (CID 106193831) is 6-bromo-N-[2-(cyclohexen-1-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 6-bromo-N-[2-(cyclohexen-1-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 6-bromo-N-[2-(cyclohexen-1-yl)ethyl]pyridin-2-amine is Brc1cccc(NCCC2=CCCCC2)n1.
What is the InChIKey of 6-bromo-N-[2-(cyclohexen-1-yl)ethyl]pyridin-2-amine?
The InChIKey is AFPBMFNGXSCONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2/c14-12-7-4-8-13(16-12)15-10-9-11-5-2-1-3-6-11/h4-5,7-8H,1-3,6,9-10H2,(H,15,16).
What are the key properties of 6-bromo-N-[2-(cyclohexen-1-yl)ethyl]pyridin-2-amine?
6-bromo-N-[2-(cyclohexen-1-yl)ethyl]pyridin-2-amine has a molecular weight of 281.20 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[2-(cyclohexen-1-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 106193831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).