1-(5-bromo-3-methyltriazol-4-yl)decan-1-amine

C13H25BrN4 — CID 106465292

IUPAC1-(5-bromo-3-methyltriazol-4-yl)decan-1-amine
SMILESCCCCCCCCCC(N)c1c(Br)nnn1C
InChIInChI=1S/C13H25BrN4/c1-3-4-5-6-7-8-9-10-11(15)12-13(14)16-17-18(12)2/h11H,3-10,15H2,1-2H3
InChIKeyPUNTVZDPXHDVPX-UHFFFAOYSA-N
MW317.28 g/mol
LogP3.72
Rot. Bonds9

About 1-(5-bromo-3-methyltriazol-4-yl)decan-1-amine

1-(5-bromo-3-methyltriazol-4-yl)decan-1-amine (PubChem CID 106465292) has the molecular formula C13H25BrN4 and a molecular weight of 317.28 g/mol. Its IUPAC name is 1-(5-bromo-3-methyltriazol-4-yl)decan-1-amine.

Molecular Properties

Compound Name1-(5-bromo-3-methyltriazol-4-yl)decan-1-amine
PubChem CID106465292
Molecular FormulaC13H25BrN4
Molecular Weight317.28 g/mol
Exact Mass316.13
IUPAC Name1-(5-bromo-3-methyltriazol-4-yl)decan-1-amine
SMILESCCCCCCCCCC(N)c1c(Br)nnn1C
InChIInChI=1S/C13H25BrN4/c1-3-4-5-6-7-8-9-10-11(15)12-13(14)16-17-18(12)2/h11H,3-10,15H2,1-2H3
InChIKeyPUNTVZDPXHDVPX-UHFFFAOYSA-N
XLogP3.72
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.28
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(5-bromo-3-methyltriazol-4-yl)pentan-1-amine
CID 106462704
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CID 106461231
1-(5-bromo-3-methyltriazol-4-yl)-2-ethoxyethanamine
CID 106462551
(3S)-3-amino-3-(5-bromo-3-methyltriazol-4-yl)propanamide
CID 130586346
2-(azetidin-1-yl)-1-(5-bromo-3-methyltriazol-4-yl)ethanamine
CID 127002795
1-(5-bromo-3-methyltriazol-4-yl)-3-(3-methylphenoxy)propan-1-amine
CID 106465361
1-(5-bromo-3-methyltriazol-4-yl)-2-cycloheptylethanamine
CID 106464672
N-[1-(5-bromo-3-methyltriazol-4-yl)-2,2-difluoroethyl]propan-1-amine
CID 106465403
3-(5-bromo-3-methyltriazol-4-yl)-N-propylbutan-1-amine
CID 106463919
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]nonan-1-amine
CID 105043060
1-(5-bromo-3-methyltriazol-4-yl)-4-ethoxy-N-methylbutan-1-amine
CID 106464917
1-(4-methoxy-1-methylpyrazol-5-yl)hexan-1-amine
CID 105047246

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-methyltriazol-4-yl)decan-1-amine?
The IUPAC name of 1-(5-bromo-3-methyltriazol-4-yl)decan-1-amine (CID 106465292) is 1-(5-bromo-3-methyltriazol-4-yl)decan-1-amine.
What is the SMILES notation for 1-(5-bromo-3-methyltriazol-4-yl)decan-1-amine?
The canonical SMILES for 1-(5-bromo-3-methyltriazol-4-yl)decan-1-amine is CCCCCCCCCC(N)c1c(Br)nnn1C.
What is the InChIKey of 1-(5-bromo-3-methyltriazol-4-yl)decan-1-amine?
The InChIKey is PUNTVZDPXHDVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25BrN4/c1-3-4-5-6-7-8-9-10-11(15)12-13(14)16-17-18(12)2/h11H,3-10,15H2,1-2H3.
What are the key properties of 1-(5-bromo-3-methyltriazol-4-yl)decan-1-amine?
1-(5-bromo-3-methyltriazol-4-yl)decan-1-amine has a molecular weight of 317.28 g/mol, XLogP of 3.72, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-methyltriazol-4-yl)decan-1-amine is sourced from PubChem (CID 106465292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).