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

C13H19BrN2 — CID 104811972

IUPAC3-[(5-bromo-3-pyridinyl)methyl]-N-ethylcyclopentan-1-amine
SMILESCCNC1CCC(Cc2cncc(Br)c2)C1
InChIInChI=1S/C13H19BrN2/c1-2-16-13-4-3-10(7-13)5-11-6-12(14)9-15-8-11/h6,8-10,13,16H,2-5,7H2,1H3
InChIKeyBEEPRPYLTCSRCE-UHFFFAOYSA-N
MW283.21 g/mol
LogP3.16
Rot. Bonds4

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

3-[(5-bromo-3-pyridinyl)methyl]-N-ethylcyclopentan-1-amine (PubChem CID 104811972) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is 3-[(5-bromo-3-pyridinyl)methyl]-N-ethylcyclopentan-1-amine.

Molecular Properties

Compound Name3-[(5-bromo-3-pyridinyl)methyl]-N-ethylcyclopentan-1-amine
PubChem CID104811972
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC Name3-[(5-bromo-3-pyridinyl)methyl]-N-ethylcyclopentan-1-amine
SMILESCCNC1CCC(Cc2cncc(Br)c2)C1
InChIInChI=1S/C13H19BrN2/c1-2-16-13-4-3-10(7-13)5-11-6-12(14)9-15-8-11/h6,8-10,13,16H,2-5,7H2,1H3
InChIKeyBEEPRPYLTCSRCE-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-3-pyridinyl)methyl]-N-ethylcyclopentan-1-amine?
The IUPAC name of 3-[(5-bromo-3-pyridinyl)methyl]-N-ethylcyclopentan-1-amine (CID 104811972) is 3-[(5-bromo-3-pyridinyl)methyl]-N-ethylcyclopentan-1-amine.
What is the SMILES notation for 3-[(5-bromo-3-pyridinyl)methyl]-N-ethylcyclopentan-1-amine?
The canonical SMILES for 3-[(5-bromo-3-pyridinyl)methyl]-N-ethylcyclopentan-1-amine is CCNC1CCC(Cc2cncc(Br)c2)C1.
What is the InChIKey of 3-[(5-bromo-3-pyridinyl)methyl]-N-ethylcyclopentan-1-amine?
The InChIKey is BEEPRPYLTCSRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2/c1-2-16-13-4-3-10(7-13)5-11-6-12(14)9-15-8-11/h6,8-10,13,16H,2-5,7H2,1H3.
What are the key properties of 3-[(5-bromo-3-pyridinyl)methyl]-N-ethylcyclopentan-1-amine?
3-[(5-bromo-3-pyridinyl)methyl]-N-ethylcyclopentan-1-amine has a molecular weight of 283.21 g/mol, XLogP of 3.16, 4 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)methyl]-N-ethylcyclopentan-1-amine is sourced from PubChem (CID 104811972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).