1-(5-bromo-3-pyridinyl)octan-2-amine

C13H21BrN2 — CID 105036807

IUPAC1-(5-bromo-3-pyridinyl)octan-2-amine
SMILESCCCCCCC(N)Cc1cncc(Br)c1
InChIInChI=1S/C13H21BrN2/c1-2-3-4-5-6-13(15)8-11-7-12(14)10-16-9-11/h7,9-10,13H,2-6,8,15H2,1H3
InChIKeyMSSZWOWMLXLJED-UHFFFAOYSA-N
MW285.23 g/mol
LogP3.68
Rot. Bonds7

About 1-(5-bromo-3-pyridinyl)octan-2-amine

1-(5-bromo-3-pyridinyl)octan-2-amine (PubChem CID 105036807) has the molecular formula C13H21BrN2 and a molecular weight of 285.23 g/mol. Its IUPAC name is 1-(5-bromo-3-pyridinyl)octan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-3-pyridinyl)octan-2-amine
PubChem CID105036807
Molecular FormulaC13H21BrN2
Molecular Weight285.23 g/mol
Exact Mass284.09
IUPAC Name1-(5-bromo-3-pyridinyl)octan-2-amine
SMILESCCCCCCC(N)Cc1cncc(Br)c1
InChIInChI=1S/C13H21BrN2/c1-2-3-4-5-6-13(15)8-11-7-12(14)10-16-9-11/h7,9-10,13H,2-6,8,15H2,1H3
InChIKeyMSSZWOWMLXLJED-UHFFFAOYSA-N
XLogP3.68
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 53.68
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

1-(5-bromo-3-pyridinyl)-N-methylnonan-2-amine
CID 105036982
1-(5-bromo-3-pyridinyl)-N-ethyldecan-2-amine
CID 105036977
1-(5-bromo-3-pyridinyl)-N-propyldecan-2-amine
CID 105036606
2-amino-3-(5-bromo-3-pyridinyl)propan-1-ol
CID 115649533
1-(5-bromo-3-pyridinyl)hexan-3-amine
CID 104799822
1-pyridin-3-ylundecan-2-amine
CID 62603230
1-(5-bromo-3-pyridinyl)-3-ethylpentan-2-amine
CID 105036917
1-(5-bromo-3-pyridinyl)pentan-2-ylhydrazine
CID 105202011
3-amino-1-(5-bromo-3-pyridinyl)heptan-2-one
CID 116556893
1-(3,5-dimethylphenyl)undecan-2-amine
CID 63416207
5-(5-bromo-3-pyridinyl)pentan-2-amine
CID 104811907
1-(5-bromo-3-pyridinyl)butan-2-ylhydrazine
CID 105200907

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-pyridinyl)octan-2-amine?
The IUPAC name of 1-(5-bromo-3-pyridinyl)octan-2-amine (CID 105036807) is 1-(5-bromo-3-pyridinyl)octan-2-amine.
What is the SMILES notation for 1-(5-bromo-3-pyridinyl)octan-2-amine?
The canonical SMILES for 1-(5-bromo-3-pyridinyl)octan-2-amine is CCCCCCC(N)Cc1cncc(Br)c1.
What is the InChIKey of 1-(5-bromo-3-pyridinyl)octan-2-amine?
The InChIKey is MSSZWOWMLXLJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2/c1-2-3-4-5-6-13(15)8-11-7-12(14)10-16-9-11/h7,9-10,13H,2-6,8,15H2,1H3.
What are the key properties of 1-(5-bromo-3-pyridinyl)octan-2-amine?
1-(5-bromo-3-pyridinyl)octan-2-amine has a molecular weight of 285.23 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-pyridinyl)octan-2-amine is sourced from PubChem (CID 105036807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).