1-(5-bromo-2-pyridinyl)-N,3,5-trimethylhexan-1-amine

C14H23BrN2 — CID 114201019

IUPAC1-(5-bromo-2-pyridinyl)-N,3,5-trimethylhexan-1-amine
SMILESCNC(CC(C)CC(C)C)c1ccc(Br)cn1
InChIInChI=1S/C14H23BrN2/c1-10(2)7-11(3)8-14(16-4)13-6-5-12(15)9-17-13/h5-6,9-11,14,16H,7-8H2,1-4H3
InChIKeyUOTHYPVPPHQHDM-UHFFFAOYSA-N
MW299.26 g/mol
LogP4.18
Rot. Bonds6

About 1-(5-bromo-2-pyridinyl)-N,3,5-trimethylhexan-1-amine

1-(5-bromo-2-pyridinyl)-N,3,5-trimethylhexan-1-amine (PubChem CID 114201019) has the molecular formula C14H23BrN2 and a molecular weight of 299.26 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-N,3,5-trimethylhexan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-N,3,5-trimethylhexan-1-amine
PubChem CID114201019
Molecular FormulaC14H23BrN2
Molecular Weight299.26 g/mol
Exact Mass298.10
IUPAC Name1-(5-bromo-2-pyridinyl)-N,3,5-trimethylhexan-1-amine
SMILESCNC(CC(C)CC(C)C)c1ccc(Br)cn1
InChIInChI=1S/C14H23BrN2/c1-10(2)7-11(3)8-14(16-4)13-6-5-12(15)9-17-13/h5-6,9-11,14,16H,7-8H2,1-4H3
InChIKeyUOTHYPVPPHQHDM-UHFFFAOYSA-N
XLogP4.18
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-fluoro-2-pyridinyl)-N,3,5-trimethylhexan-1-amine
CID 114200966
1,2-bis(5-bromo-2-pyridinyl)-N-methylethanamine
CID 104804023
(1S)-1-(5-bromo-2-pyridinyl)-N-methylethanamine
CID 130641134
1-(5-bromo-2-fluorophenyl)-N,3,5-trimethylhexan-1-amine
CID 114201055
1-(5-bromo-2-pyridinyl)-N-methyloct-7-en-1-amine
CID 107009654
[1-(5-bromo-2-pyridinyl)-3-ethylpentyl]hydrazine
CID 105267903
1-(5-bromo-2-pyridinyl)ethanol
CID 42614288
[(1S)-1-(5-bromo-2-pyridinyl)ethyl]azanium chloride
CID 89251860
2-(5-bromo-2-pyridinyl)-N-methyl-1-pyridin-2-ylethanamine
CID 113454817
1-(2-bromo-4-methylphenyl)-N,3,5-trimethylhexan-1-amine
CID 114201075
1-[(1S)-1-(5-bromo-2-pyridinyl)-3-methylbutyl]piperazine
CID 171276286
[1-(5-bromo-2-pyridinyl)-2-ethoxyethyl]hydrazine
CID 105267714

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-N,3,5-trimethylhexan-1-amine?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-N,3,5-trimethylhexan-1-amine (CID 114201019) is 1-(5-bromo-2-pyridinyl)-N,3,5-trimethylhexan-1-amine.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-N,3,5-trimethylhexan-1-amine?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-N,3,5-trimethylhexan-1-amine is CNC(CC(C)CC(C)C)c1ccc(Br)cn1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-N,3,5-trimethylhexan-1-amine?
The InChIKey is UOTHYPVPPHQHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2/c1-10(2)7-11(3)8-14(16-4)13-6-5-12(15)9-17-13/h5-6,9-11,14,16H,7-8H2,1-4H3.
What are the key properties of 1-(5-bromo-2-pyridinyl)-N,3,5-trimethylhexan-1-amine?
1-(5-bromo-2-pyridinyl)-N,3,5-trimethylhexan-1-amine has a molecular weight of 299.26 g/mol, XLogP of 4.18, 6 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,3,5-trimethylhexan-1-amine is sourced from PubChem (CID 114201019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).