N-[(5-bromo-3-pyridinyl)methyl]-1-(2-chlorocyclopentyl)methanamine

C12H16BrClN2 — CID 104811205

IUPACN-[(5-bromo-3-pyridinyl)methyl]-1-(2-chlorocyclopentyl)methanamine
SMILESClC1CCCC1CNCc1cncc(Br)c1
InChIInChI=1S/C12H16BrClN2/c13-11-4-9(6-16-8-11)5-15-7-10-2-1-3-12(10)14/h4,6,8,10,12,15H,1-3,5,7H2
InChIKeyGBWVCYFYFWMPHP-UHFFFAOYSA-N
MW303.63 g/mol
LogP3.34
Rot. Bonds4

About N-[(5-bromo-3-pyridinyl)methyl]-1-(2-chlorocyclopentyl)methanamine

N-[(5-bromo-3-pyridinyl)methyl]-1-(2-chlorocyclopentyl)methanamine (PubChem CID 104811205) has the molecular formula C12H16BrClN2 and a molecular weight of 303.63 g/mol. Its IUPAC name is N-[(5-bromo-3-pyridinyl)methyl]-1-(2-chlorocyclopentyl)methanamine.

Molecular Properties

Compound NameN-[(5-bromo-3-pyridinyl)methyl]-1-(2-chlorocyclopentyl)methanamine
PubChem CID104811205
Molecular FormulaC12H16BrClN2
Molecular Weight303.63 g/mol
Exact Mass302.02
IUPAC NameN-[(5-bromo-3-pyridinyl)methyl]-1-(2-chlorocyclopentyl)methanamine
SMILESClC1CCCC1CNCc1cncc(Br)c1
InChIInChI=1S/C12H16BrClN2/c13-11-4-9(6-16-8-11)5-15-7-10-2-1-3-12(10)14/h4,6,8,10,12,15H,1-3,5,7H2
InChIKeyGBWVCYFYFWMPHP-UHFFFAOYSA-N
XLogP3.34
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.63
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chlorocyclopentyl)-N-[(5-methyl-3-pyridinyl)methyl]methanamine
CID 102878907
N-[(5-bromo-3-pyridinyl)methyl]-1-(3-methylcyclopentyl)methanamine
CID 107412103
1-(2-methylcyclopentyl)-N-[(5-methyl-3-pyridinyl)methyl]methanamine
CID 107418287
N-[(5-bromo-3-pyridinyl)methyl]-2-cyclohexylethanamine
CID 113454132
2-[[(5-fluoro-3-pyridinyl)methylamino]methyl]cyclopentan-1-ol
CID 104953775
1-(2-chlorocyclohexyl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 112644380
1-(5-bromo-3-pyridinyl)-N-iodomethanamine
CID 91903017
N-[(5-bromo-3-pyridinyl)methyl]-1-(1,4-dioxan-2-yl)methanamine
CID 104796776
N-[(5-bromo-3-pyridinyl)methyl]-1-pyridin-4-ylmethanamine
CID 115745327
3-bromo-5-[(2-chloro-5-phenylcyclohexyl)methyl]pyridine
CID 104810123
N-[(2-bromo-4-fluorophenyl)methyl]-1-(2-chlorocyclohexyl)methanamine
CID 65024730
N-[(5-bromo-3-pyridinyl)methyl]-2-(chloromethyl)-2-ethylbutan-1-amine
CID 106252231

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-3-pyridinyl)methyl]-1-(2-chlorocyclopentyl)methanamine?
The IUPAC name of N-[(5-bromo-3-pyridinyl)methyl]-1-(2-chlorocyclopentyl)methanamine (CID 104811205) is N-[(5-bromo-3-pyridinyl)methyl]-1-(2-chlorocyclopentyl)methanamine.
What is the SMILES notation for N-[(5-bromo-3-pyridinyl)methyl]-1-(2-chlorocyclopentyl)methanamine?
The canonical SMILES for N-[(5-bromo-3-pyridinyl)methyl]-1-(2-chlorocyclopentyl)methanamine is ClC1CCCC1CNCc1cncc(Br)c1.
What is the InChIKey of N-[(5-bromo-3-pyridinyl)methyl]-1-(2-chlorocyclopentyl)methanamine?
The InChIKey is GBWVCYFYFWMPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClN2/c13-11-4-9(6-16-8-11)5-15-7-10-2-1-3-12(10)14/h4,6,8,10,12,15H,1-3,5,7H2.
What are the key properties of N-[(5-bromo-3-pyridinyl)methyl]-1-(2-chlorocyclopentyl)methanamine?
N-[(5-bromo-3-pyridinyl)methyl]-1-(2-chlorocyclopentyl)methanamine has a molecular weight of 303.63 g/mol, XLogP of 3.34, 4 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]-1-(2-chlorocyclopentyl)methanamine is sourced from PubChem (CID 104811205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).