3-(5-bromo-3-pyridinyl)-2-cyclopentyl-N-propylpropan-1-amine

C16H25BrN2 — CID 104810963

IUPAC3-(5-bromo-3-pyridinyl)-2-cyclopentyl-N-propylpropan-1-amine
SMILESCCCNCC(Cc1cncc(Br)c1)C1CCCC1
InChIInChI=1S/C16H25BrN2/c1-2-7-18-11-15(14-5-3-4-6-14)8-13-9-16(17)12-19-10-13/h9-10,12,14-15,18H,2-8,11H2,1H3
InChIKeyQWTNFXOAUDUWDQ-UHFFFAOYSA-N
MW325.29 g/mol
LogP4.19
Rot. Bonds7

About 3-(5-bromo-3-pyridinyl)-2-cyclopentyl-N-propylpropan-1-amine

3-(5-bromo-3-pyridinyl)-2-cyclopentyl-N-propylpropan-1-amine (PubChem CID 104810963) has the molecular formula C16H25BrN2 and a molecular weight of 325.29 g/mol. Its IUPAC name is 3-(5-bromo-3-pyridinyl)-2-cyclopentyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-(5-bromo-3-pyridinyl)-2-cyclopentyl-N-propylpropan-1-amine
PubChem CID104810963
Molecular FormulaC16H25BrN2
Molecular Weight325.29 g/mol
Exact Mass324.12
IUPAC Name3-(5-bromo-3-pyridinyl)-2-cyclopentyl-N-propylpropan-1-amine
SMILESCCCNCC(Cc1cncc(Br)c1)C1CCCC1
InChIInChI=1S/C16H25BrN2/c1-2-7-18-11-15(14-5-3-4-6-14)8-13-9-16(17)12-19-10-13/h9-10,12,14-15,18H,2-8,11H2,1H3
InChIKeyQWTNFXOAUDUWDQ-UHFFFAOYSA-N
XLogP4.19
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 54.19
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

3-(4-bromophenyl)-2-cyclopentyl-N-propylpropan-1-amine
CID 82932863
3-(5-bromo-3-pyridinyl)-2-methyl-N-propylpropan-1-amine
CID 104810429
2-(5-bromo-3-pyridinyl)-1-cyclopentyl-N-methylethanamine
CID 104801480
2-cycloheptyl-3-(4-fluorophenyl)-N-propylpropan-1-amine
CID 82933178
3-(4-chlorophenyl)-2-cyclohexyl-N-propylpropan-1-amine
CID 82932711
2-(5-bromo-3-pyridinyl)-1-cycloheptylethanol
CID 104800221
2-cyclohexyl-N-propylpentan-1-amine
CID 82932453
3-(2-chlorophenyl)-2-cyclopentyl-N-propylpropan-1-amine
CID 82934267
3-(3-bromophenyl)-2-cyclopentyl-N-(2-methoxyethyl)propan-1-amine
CID 82933905
2-cyclopentyl-3-(2,5-dimethylpyrazol-3-yl)-N-propylpropan-1-amine
CID 112569917
2-cyclopentyl-3-(5-ethylthiophen-2-yl)-N-propylpropan-1-amine
CID 112569956
(1S)-N-[(5-bromo-3-pyridinyl)methyl]-1-cycloheptylethanamine
CID 104580020

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-3-pyridinyl)-2-cyclopentyl-N-propylpropan-1-amine?
The IUPAC name of 3-(5-bromo-3-pyridinyl)-2-cyclopentyl-N-propylpropan-1-amine (CID 104810963) is 3-(5-bromo-3-pyridinyl)-2-cyclopentyl-N-propylpropan-1-amine.
What is the SMILES notation for 3-(5-bromo-3-pyridinyl)-2-cyclopentyl-N-propylpropan-1-amine?
The canonical SMILES for 3-(5-bromo-3-pyridinyl)-2-cyclopentyl-N-propylpropan-1-amine is CCCNCC(Cc1cncc(Br)c1)C1CCCC1.
What is the InChIKey of 3-(5-bromo-3-pyridinyl)-2-cyclopentyl-N-propylpropan-1-amine?
The InChIKey is QWTNFXOAUDUWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2/c1-2-7-18-11-15(14-5-3-4-6-14)8-13-9-16(17)12-19-10-13/h9-10,12,14-15,18H,2-8,11H2,1H3.
What are the key properties of 3-(5-bromo-3-pyridinyl)-2-cyclopentyl-N-propylpropan-1-amine?
3-(5-bromo-3-pyridinyl)-2-cyclopentyl-N-propylpropan-1-amine has a molecular weight of 325.29 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-3-pyridinyl)-2-cyclopentyl-N-propylpropan-1-amine is sourced from PubChem (CID 104810963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).