N-[(5-bromo-3-pyridinyl)methyl]-2-cyclohexylethanamine

C14H21BrN2 — CID 113454132

IUPACN-[(5-bromo-3-pyridinyl)methyl]-2-cyclohexylethanamine
SMILESBrc1cncc(CNCCC2CCCCC2)c1
InChIInChI=1S/C14H21BrN2/c15-14-8-13(10-17-11-14)9-16-7-6-12-4-2-1-3-5-12/h8,10-12,16H,1-7,9H2
InChIKeyJAOLGXVGQQTANM-UHFFFAOYSA-N
MW297.24 g/mol
LogP3.90
Rot. Bonds5

About N-[(5-bromo-3-pyridinyl)methyl]-2-cyclohexylethanamine

N-[(5-bromo-3-pyridinyl)methyl]-2-cyclohexylethanamine (PubChem CID 113454132) has the molecular formula C14H21BrN2 and a molecular weight of 297.24 g/mol. Its IUPAC name is N-[(5-bromo-3-pyridinyl)methyl]-2-cyclohexylethanamine.

Molecular Properties

Compound NameN-[(5-bromo-3-pyridinyl)methyl]-2-cyclohexylethanamine
PubChem CID113454132
Molecular FormulaC14H21BrN2
Molecular Weight297.24 g/mol
Exact Mass296.09
IUPAC NameN-[(5-bromo-3-pyridinyl)methyl]-2-cyclohexylethanamine
SMILESBrc1cncc(CNCCC2CCCCC2)c1
InChIInChI=1S/C14H21BrN2/c15-14-8-13(10-17-11-14)9-16-7-6-12-4-2-1-3-5-12/h8,10-12,16H,1-7,9H2
InChIKeyJAOLGXVGQQTANM-UHFFFAOYSA-N
XLogP3.90
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-bromo-5-fluorophenyl)methyl]-2-cyclohexylethanamine
CID 79709953
2,6-dibromo-4-[(2-cyclohexylethylamino)methyl]phenol
CID 107740666
2-[(5-bromo-3-pyridinyl)methylamino]cycloheptan-1-ol
CID 104797130
N-[(5-bromo-3-pyridinyl)methyl]-3-iodopropan-1-amine
CID 114503620
(1S)-N-[(5-bromo-3-pyridinyl)methyl]-1-cycloheptylethanamine
CID 104580020
N-[(3-bromo-4-fluorophenyl)methyl]-2-cyclohexylethanamine
CID 63448345
N-[(5-bromo-3-pyridinyl)methyl]-1-(3-methylcyclopentyl)methanamine
CID 107412103
(1R)-N-[(5-bromo-3-pyridinyl)methyl]-1-cycloheptylethanamine
CID 104580046
N-[(5-bromo-3-pyridinyl)methyl]-1-(2-chlorocyclopentyl)methanamine
CID 104811205
N-[(4-chlorophenyl)methyl]-2-cyclohexylethanamine
CID 63448624
N-[(5-bromo-3-pyridinyl)methyl]-N',N'-dimethylpropane-1,3-diamine
CID 115778146
5-bromo-N-(2-cyclohexylethyl)-3-fluoropyridin-2-amine
CID 114046501

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-3-pyridinyl)methyl]-2-cyclohexylethanamine?
The IUPAC name of N-[(5-bromo-3-pyridinyl)methyl]-2-cyclohexylethanamine (CID 113454132) is N-[(5-bromo-3-pyridinyl)methyl]-2-cyclohexylethanamine.
What is the SMILES notation for N-[(5-bromo-3-pyridinyl)methyl]-2-cyclohexylethanamine?
The canonical SMILES for N-[(5-bromo-3-pyridinyl)methyl]-2-cyclohexylethanamine is Brc1cncc(CNCCC2CCCCC2)c1.
What is the InChIKey of N-[(5-bromo-3-pyridinyl)methyl]-2-cyclohexylethanamine?
The InChIKey is JAOLGXVGQQTANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2/c15-14-8-13(10-17-11-14)9-16-7-6-12-4-2-1-3-5-12/h8,10-12,16H,1-7,9H2.
What are the key properties of N-[(5-bromo-3-pyridinyl)methyl]-2-cyclohexylethanamine?
N-[(5-bromo-3-pyridinyl)methyl]-2-cyclohexylethanamine has a molecular weight of 297.24 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-3-pyridinyl)methyl]-2-cyclohexylethanamine is sourced from PubChem (CID 113454132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).