N-[(5-bromo-3-pyridinyl)methyl]-2,2-dimethylcyclopentan-1-amine

C13H19BrN2 — CID 104797025

IUPACN-[(5-bromo-3-pyridinyl)methyl]-2,2-dimethylcyclopentan-1-amine
SMILESCC1(C)CCCC1NCc1cncc(Br)c1
InChIInChI=1S/C13H19BrN2/c1-13(2)5-3-4-12(13)16-8-10-6-11(14)9-15-7-10/h6-7,9,12,16H,3-5,8H2,1-2H3
InChIKeySBLYJNNQDMUXCR-UHFFFAOYSA-N
MW283.21 g/mol
LogP3.51
Rot. Bonds3

About N-[(5-bromo-3-pyridinyl)methyl]-2,2-dimethylcyclopentan-1-amine

N-[(5-bromo-3-pyridinyl)methyl]-2,2-dimethylcyclopentan-1-amine (PubChem CID 104797025) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is N-[(5-bromo-3-pyridinyl)methyl]-2,2-dimethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(5-bromo-3-pyridinyl)methyl]-2,2-dimethylcyclopentan-1-amine
PubChem CID104797025
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC NameN-[(5-bromo-3-pyridinyl)methyl]-2,2-dimethylcyclopentan-1-amine
SMILESCC1(C)CCCC1NCc1cncc(Br)c1
InChIInChI=1S/C13H19BrN2/c1-13(2)5-3-4-12(13)16-8-10-6-11(14)9-15-7-10/h6-7,9,12,16H,3-5,8H2,1-2H3
InChIKeySBLYJNNQDMUXCR-UHFFFAOYSA-N
XLogP3.51
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromo-4-fluorophenyl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 79861703
2,6-dibromo-4-[[(2,2-dimethylcyclohexyl)amino]methyl]phenol
CID 107740899
N-[(4-ethylphenyl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 79861395
[4-[[(2,2-dimethylcyclopentyl)amino]methyl]phenyl]methanol
CID 113365810
2-[(5-bromo-3-pyridinyl)methylamino]cycloheptan-1-ol
CID 104797130
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 79832369
2,2-dimethyl-N-[(3-methylimidazol-4-yl)methyl]cyclopentan-1-amine
CID 79831902
N-[(4-bromo-3-fluorophenyl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 81436842
2,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]cyclopentan-1-amine
CID 79857076
2,2-dimethyl-N-[(2-methylquinolin-6-yl)methyl]cyclopentan-1-amine
CID 105378566
2,2-dimethyl-N-[(2,4,6-trimethylphenyl)methyl]cyclopentan-1-amine
CID 79861537
N-[(6-methoxynaphthalen-2-yl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 79866712

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-3-pyridinyl)methyl]-2,2-dimethylcyclopentan-1-amine?
The IUPAC name of N-[(5-bromo-3-pyridinyl)methyl]-2,2-dimethylcyclopentan-1-amine (CID 104797025) is N-[(5-bromo-3-pyridinyl)methyl]-2,2-dimethylcyclopentan-1-amine.
What is the SMILES notation for N-[(5-bromo-3-pyridinyl)methyl]-2,2-dimethylcyclopentan-1-amine?
The canonical SMILES for N-[(5-bromo-3-pyridinyl)methyl]-2,2-dimethylcyclopentan-1-amine is CC1(C)CCCC1NCc1cncc(Br)c1.
What is the InChIKey of N-[(5-bromo-3-pyridinyl)methyl]-2,2-dimethylcyclopentan-1-amine?
The InChIKey is SBLYJNNQDMUXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2/c1-13(2)5-3-4-12(13)16-8-10-6-11(14)9-15-7-10/h6-7,9,12,16H,3-5,8H2,1-2H3.
What are the key properties of N-[(5-bromo-3-pyridinyl)methyl]-2,2-dimethylcyclopentan-1-amine?
N-[(5-bromo-3-pyridinyl)methyl]-2,2-dimethylcyclopentan-1-amine has a molecular weight of 283.21 g/mol, XLogP of 3.51, 3 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]-2,2-dimethylcyclopentan-1-amine is sourced from PubChem (CID 104797025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).