N-[3-(4-aminocyclohexyl)oxypropyl]-3-bromo-4-methylpyridin-2-amine

C15H24BrN3O — CID 106876136

IUPACN-[3-(4-aminocyclohexyl)oxypropyl]-3-bromo-4-methylpyridin-2-amine
SMILESCc1ccnc(NCCCOC2CCC(N)CC2)c1Br
InChIInChI=1S/C15H24BrN3O/c1-11-7-9-19-15(14(11)16)18-8-2-10-20-13-5-3-12(17)4-6-13/h7,9,12-13H,2-6,8,10,17H2,1H3,(H,18,19)
InChIKeyFUXMAJJTPCIOKK-UHFFFAOYSA-N
MW342.28 g/mol
LogP3.24
Rot. Bonds6

About N-[3-(4-aminocyclohexyl)oxypropyl]-3-bromo-4-methylpyridin-2-amine

N-[3-(4-aminocyclohexyl)oxypropyl]-3-bromo-4-methylpyridin-2-amine (PubChem CID 106876136) has the molecular formula C15H24BrN3O and a molecular weight of 342.28 g/mol. Its IUPAC name is N-[3-(4-aminocyclohexyl)oxypropyl]-3-bromo-4-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[3-(4-aminocyclohexyl)oxypropyl]-3-bromo-4-methylpyridin-2-amine
PubChem CID106876136
Molecular FormulaC15H24BrN3O
Molecular Weight342.28 g/mol
Exact Mass341.11
IUPAC NameN-[3-(4-aminocyclohexyl)oxypropyl]-3-bromo-4-methylpyridin-2-amine
SMILESCc1ccnc(NCCCOC2CCC(N)CC2)c1Br
InChIInChI=1S/C15H24BrN3O/c1-11-7-9-19-15(14(11)16)18-8-2-10-20-13-5-3-12(17)4-6-13/h7,9,12-13H,2-6,8,10,17H2,1H3,(H,18,19)
InChIKeyFUXMAJJTPCIOKK-UHFFFAOYSA-N
XLogP3.24
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-(4-aminocyclohexyl)oxypropylamino]pyridine-3-carboxamide
CID 63869356
N-[3-(4-aminocyclohexyl)oxypropyl]-1-methylimidazol-2-amine
CID 63871029
N-[3-(4-aminocyclohexyl)oxypropyl]-4-ethoxypyrimidin-2-amine
CID 115975401
3-[2-(4-aminocyclohexyl)oxyethylamino]pyrazine-2-carboxamide
CID 63870860
4-[(3-bromo-4-methyl-2-pyridinyl)amino]butan-1-ol
CID 106876006
N-[3-(4-aminocyclohexyl)oxypropyl]-5-fluoropyridin-2-amine
CID 63870709
N-[2-(4-aminocyclohexyl)oxyethyl]-2-methylpyridin-4-amine
CID 113482690
4-[(3-bromo-4-methyl-2-pyridinyl)oxy]cyclohexan-1-amine
CID 106878594
methyl 6-[(3-bromo-4-methyl-2-pyridinyl)amino]hexanoate
CID 106878486
5-[(3-bromo-4-methyl-2-pyridinyl)amino]pentan-2-ol
CID 106129032
3-bromo-N-(2-chloroethyl)-4-methylpyridin-2-amine
CID 106878907
3-bromo-N-cyclopropyl-4-methylpyridin-2-amine
CID 97181175

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-aminocyclohexyl)oxypropyl]-3-bromo-4-methylpyridin-2-amine?
The IUPAC name of N-[3-(4-aminocyclohexyl)oxypropyl]-3-bromo-4-methylpyridin-2-amine (CID 106876136) is N-[3-(4-aminocyclohexyl)oxypropyl]-3-bromo-4-methylpyridin-2-amine.
What is the SMILES notation for N-[3-(4-aminocyclohexyl)oxypropyl]-3-bromo-4-methylpyridin-2-amine?
The canonical SMILES for N-[3-(4-aminocyclohexyl)oxypropyl]-3-bromo-4-methylpyridin-2-amine is Cc1ccnc(NCCCOC2CCC(N)CC2)c1Br.
What is the InChIKey of N-[3-(4-aminocyclohexyl)oxypropyl]-3-bromo-4-methylpyridin-2-amine?
The InChIKey is FUXMAJJTPCIOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3O/c1-11-7-9-19-15(14(11)16)18-8-2-10-20-13-5-3-12(17)4-6-13/h7,9,12-13H,2-6,8,10,17H2,1H3,(H,18,19).
What are the key properties of N-[3-(4-aminocyclohexyl)oxypropyl]-3-bromo-4-methylpyridin-2-amine?
N-[3-(4-aminocyclohexyl)oxypropyl]-3-bromo-4-methylpyridin-2-amine has a molecular weight of 342.28 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-aminocyclohexyl)oxypropyl]-3-bromo-4-methylpyridin-2-amine is sourced from PubChem (CID 106876136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).