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

C14H21BrN2 — CID 104811976

IUPAC3-[(5-bromo-2-pyridinyl)methyl]-N-propylcyclopentan-1-amine
SMILESCCCNC1CCC(Cc2ccc(Br)cn2)C1
InChIInChI=1S/C14H21BrN2/c1-2-7-16-13-5-3-11(8-13)9-14-6-4-12(15)10-17-14/h4,6,10-11,13,16H,2-3,5,7-9H2,1H3
InChIKeyXJGUSWPMHAOURQ-UHFFFAOYSA-N
MW297.24 g/mol
LogP3.55
Rot. Bonds5

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

3-[(5-bromo-2-pyridinyl)methyl]-N-propylcyclopentan-1-amine (PubChem CID 104811976) has the molecular formula C14H21BrN2 and a molecular weight of 297.24 g/mol. Its IUPAC name is 3-[(5-bromo-2-pyridinyl)methyl]-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name3-[(5-bromo-2-pyridinyl)methyl]-N-propylcyclopentan-1-amine
PubChem CID104811976
Molecular FormulaC14H21BrN2
Molecular Weight297.24 g/mol
Exact Mass296.09
IUPAC Name3-[(5-bromo-2-pyridinyl)methyl]-N-propylcyclopentan-1-amine
SMILESCCCNC1CCC(Cc2ccc(Br)cn2)C1
InChIInChI=1S/C14H21BrN2/c1-2-7-16-13-5-3-11(8-13)9-14-6-4-12(15)10-17-14/h4,6,10-11,13,16H,2-3,5,7-9H2,1H3
InChIKeyXJGUSWPMHAOURQ-UHFFFAOYSA-N
XLogP3.55
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 ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-2-pyridinyl)methyl]-N-propylcyclopentan-1-amine?
The IUPAC name of 3-[(5-bromo-2-pyridinyl)methyl]-N-propylcyclopentan-1-amine (CID 104811976) is 3-[(5-bromo-2-pyridinyl)methyl]-N-propylcyclopentan-1-amine.
What is the SMILES notation for 3-[(5-bromo-2-pyridinyl)methyl]-N-propylcyclopentan-1-amine?
The canonical SMILES for 3-[(5-bromo-2-pyridinyl)methyl]-N-propylcyclopentan-1-amine is CCCNC1CCC(Cc2ccc(Br)cn2)C1.
What is the InChIKey of 3-[(5-bromo-2-pyridinyl)methyl]-N-propylcyclopentan-1-amine?
The InChIKey is XJGUSWPMHAOURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2/c1-2-7-16-13-5-3-11(8-13)9-14-6-4-12(15)10-17-14/h4,6,10-11,13,16H,2-3,5,7-9H2,1H3.
What are the key properties of 3-[(5-bromo-2-pyridinyl)methyl]-N-propylcyclopentan-1-amine?
3-[(5-bromo-2-pyridinyl)methyl]-N-propylcyclopentan-1-amine has a molecular weight of 297.24 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-2-pyridinyl)methyl]-N-propylcyclopentan-1-amine is sourced from PubChem (CID 104811976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).