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

C13H19BrN2 — CID 107412103

IUPACN-[(5-bromo-3-pyridinyl)methyl]-1-(3-methylcyclopentyl)methanamine
SMILESCC1CCC(CNCc2cncc(Br)c2)C1
InChIInChI=1S/C13H19BrN2/c1-10-2-3-11(4-10)6-15-7-12-5-13(14)9-16-8-12/h5,8-11,15H,2-4,6-7H2,1H3
InChIKeyIJWNUSOKRUKSFS-UHFFFAOYSA-N
MW283.21 g/mol
LogP3.37
Rot. Bonds4

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

N-[(5-bromo-3-pyridinyl)methyl]-1-(3-methylcyclopentyl)methanamine (PubChem CID 107412103) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is N-[(5-bromo-3-pyridinyl)methyl]-1-(3-methylcyclopentyl)methanamine.

Molecular Properties

Compound NameN-[(5-bromo-3-pyridinyl)methyl]-1-(3-methylcyclopentyl)methanamine
PubChem CID107412103
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC NameN-[(5-bromo-3-pyridinyl)methyl]-1-(3-methylcyclopentyl)methanamine
SMILESCC1CCC(CNCc2cncc(Br)c2)C1
InChIInChI=1S/C13H19BrN2/c1-10-2-3-11(4-10)6-15-7-12-5-13(14)9-16-8-12/h5,8-11,15H,2-4,6-7H2,1H3
InChIKeyIJWNUSOKRUKSFS-UHFFFAOYSA-N
XLogP3.37
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-[(5-bromo-3-pyridinyl)methyl]-4-methylcyclohexyl]methyl]propan-1-amine
CID 104813926
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-1-(3-methylcyclopentyl)methanamine
CID 107411813
N-[(5-bromo-3-pyridinyl)methyl]-1-(2-chlorocyclopentyl)methanamine
CID 104811205
N-[(5-bromo-3-pyridinyl)methyl]-2-cyclohexylethanamine
CID 113454132
N-(1H-imidazol-5-ylmethyl)-1-(3-methylcyclopentyl)methanamine
CID 107411694
N-[(1-ethylpyrazol-4-yl)methyl]-1-(3-methylcyclopentyl)methanamine
CID 107411499
1-[[(5-bromo-3-pyridinyl)methylamino]methyl]-4-ethylcyclohexan-1-ol
CID 104796981
1-[(5-bromo-3-pyridinyl)methylamino]-2-methylpropan-2-ol
CID 104796974
1-(5-bromo-3-pyridinyl)-N-iodomethanamine
CID 91903017
N-[(5-bromo-3-pyridinyl)methyl]-3-methylbut-2-en-1-amine
CID 103527851
2,6-dimethoxy-4-[[(3-methylcyclopentyl)methylamino]methyl]phenol
CID 107411940
N-[[4-(difluoromethyl)phenyl]methyl]-1-(3-methylcyclopentyl)methanamine
CID 107411764

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-3-pyridinyl)methyl]-1-(3-methylcyclopentyl)methanamine?
The IUPAC name of N-[(5-bromo-3-pyridinyl)methyl]-1-(3-methylcyclopentyl)methanamine (CID 107412103) is N-[(5-bromo-3-pyridinyl)methyl]-1-(3-methylcyclopentyl)methanamine.
What is the SMILES notation for N-[(5-bromo-3-pyridinyl)methyl]-1-(3-methylcyclopentyl)methanamine?
The canonical SMILES for N-[(5-bromo-3-pyridinyl)methyl]-1-(3-methylcyclopentyl)methanamine is CC1CCC(CNCc2cncc(Br)c2)C1.
What is the InChIKey of N-[(5-bromo-3-pyridinyl)methyl]-1-(3-methylcyclopentyl)methanamine?
The InChIKey is IJWNUSOKRUKSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2/c1-10-2-3-11(4-10)6-15-7-12-5-13(14)9-16-8-12/h5,8-11,15H,2-4,6-7H2,1H3.
What are the key properties of N-[(5-bromo-3-pyridinyl)methyl]-1-(3-methylcyclopentyl)methanamine?
N-[(5-bromo-3-pyridinyl)methyl]-1-(3-methylcyclopentyl)methanamine has a molecular weight of 283.21 g/mol, XLogP of 3.37, 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-(3-methylcyclopentyl)methanamine is sourced from PubChem (CID 107412103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).