1-(5-bromo-2-pyridinyl)-N-ethyl-3-methylhexan-2-amine

C14H23BrN2 — CID 105036427

IUPAC1-(5-bromo-2-pyridinyl)-N-ethyl-3-methylhexan-2-amine
SMILESCCCC(C)C(Cc1ccc(Br)cn1)NCC
InChIInChI=1S/C14H23BrN2/c1-4-6-11(3)14(16-5-2)9-13-8-7-12(15)10-17-13/h7-8,10-11,14,16H,4-6,9H2,1-3H3
InChIKeyMTARJDUFLFUZNW-UHFFFAOYSA-N
MW299.26 g/mol
LogP3.80
Rot. Bonds7

About 1-(5-bromo-2-pyridinyl)-N-ethyl-3-methylhexan-2-amine

1-(5-bromo-2-pyridinyl)-N-ethyl-3-methylhexan-2-amine (PubChem CID 105036427) has the molecular formula C14H23BrN2 and a molecular weight of 299.26 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-N-ethyl-3-methylhexan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-N-ethyl-3-methylhexan-2-amine
PubChem CID105036427
Molecular FormulaC14H23BrN2
Molecular Weight299.26 g/mol
Exact Mass298.10
IUPAC Name1-(5-bromo-2-pyridinyl)-N-ethyl-3-methylhexan-2-amine
SMILESCCCC(C)C(Cc1ccc(Br)cn1)NCC
InChIInChI=1S/C14H23BrN2/c1-4-6-11(3)14(16-5-2)9-13-8-7-12(15)10-17-13/h7-8,10-11,14,16H,4-6,9H2,1-3H3
InChIKeyMTARJDUFLFUZNW-UHFFFAOYSA-N
XLogP3.80
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-pyridinyl)-N-ethyl-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine
CID 103312276
1-(5-bromo-2-pyridinyl)-3-ethoxy-N-ethyl-4-methylpentan-2-amine
CID 116721571
6-(5-bromo-2-pyridinyl)-N-ethyl-2-methylhexan-3-amine
CID 104812013
[1-(5-bromo-2-pyridinyl)-3-methylbutan-2-yl]hydrazine
CID 105199530
1-(5-bromo-2-pyridinyl)hexane-2,3-diol
CID 103454775
1-(5-bromo-2-pyridinyl)-3-cyclopropyl-N-propylbutan-2-amine
CID 105036506
5-bromo-2-[2-(chloromethyl)pentyl]pyridine
CID 104813262
2-(5-bromo-2-pyridinyl)-N-ethyl-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 104802565
1-(5-bromo-2-pyridinyl)-3-ethoxy-N-ethylpropan-2-amine
CID 104802677
1-(5-bromo-2-pyridinyl)-N-propan-2-ylhexan-2-amine
CID 104803172
1-(5-bromo-2-pyridinyl)-2-methylpentan-3-ol
CID 104810070
1-(5-bromo-2-pyridinyl)-3-methylpentan-2-ol
CID 104800109

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-N-ethyl-3-methylhexan-2-amine?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-N-ethyl-3-methylhexan-2-amine (CID 105036427) is 1-(5-bromo-2-pyridinyl)-N-ethyl-3-methylhexan-2-amine.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-N-ethyl-3-methylhexan-2-amine?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-N-ethyl-3-methylhexan-2-amine is CCCC(C)C(Cc1ccc(Br)cn1)NCC.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-N-ethyl-3-methylhexan-2-amine?
The InChIKey is MTARJDUFLFUZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2/c1-4-6-11(3)14(16-5-2)9-13-8-7-12(15)10-17-13/h7-8,10-11,14,16H,4-6,9H2,1-3H3.
What are the key properties of 1-(5-bromo-2-pyridinyl)-N-ethyl-3-methylhexan-2-amine?
1-(5-bromo-2-pyridinyl)-N-ethyl-3-methylhexan-2-amine has a molecular weight of 299.26 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)-N-ethyl-3-methylhexan-2-amine is sourced from PubChem (CID 105036427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).