8-bromo-1,8-dimethylcyclotetradecan-1-amine

C16H32BrN — CID 70892255

IUPAC8-bromo-1,8-dimethylcyclotetradecan-1-amine
SMILESCC1(N)CCCCCCC(C)(Br)CCCCCC1
InChIInChI=1S/C16H32BrN/c1-15(17)11-7-3-5-9-13-16(2,18)14-10-6-4-8-12-15/h3-14,18H2,1-2H3
InChIKeyHLMRTJVHDKLMMM-UHFFFAOYSA-N
MW318.34 g/mol
LogP5.55
Rot. Bonds

About 8-bromo-1,8-dimethylcyclotetradecan-1-amine

8-bromo-1,8-dimethylcyclotetradecan-1-amine (PubChem CID 70892255) has the molecular formula C16H32BrN and a molecular weight of 318.34 g/mol. Its IUPAC name is 8-bromo-1,8-dimethylcyclotetradecan-1-amine.

Molecular Properties

Compound Name8-bromo-1,8-dimethylcyclotetradecan-1-amine
PubChem CID70892255
Molecular FormulaC16H32BrN
Molecular Weight318.34 g/mol
Exact Mass317.17
IUPAC Name8-bromo-1,8-dimethylcyclotetradecan-1-amine
SMILESCC1(N)CCCCCCC(C)(Br)CCCCCC1
InChIInChI=1S/C16H32BrN/c1-15(17)11-7-3-5-9-13-16(2,18)14-10-6-4-8-12-15/h3-14,18H2,1-2H3
InChIKeyHLMRTJVHDKLMMM-UHFFFAOYSA-N
XLogP5.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.34
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-1,8-dimethylcyclotetradecan-1-amine?
The IUPAC name of 8-bromo-1,8-dimethylcyclotetradecan-1-amine (CID 70892255) is 8-bromo-1,8-dimethylcyclotetradecan-1-amine.
What is the SMILES notation for 8-bromo-1,8-dimethylcyclotetradecan-1-amine?
The canonical SMILES for 8-bromo-1,8-dimethylcyclotetradecan-1-amine is CC1(N)CCCCCCC(C)(Br)CCCCCC1.
What is the InChIKey of 8-bromo-1,8-dimethylcyclotetradecan-1-amine?
The InChIKey is HLMRTJVHDKLMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32BrN/c1-15(17)11-7-3-5-9-13-16(2,18)14-10-6-4-8-12-15/h3-14,18H2,1-2H3.
What are the key properties of 8-bromo-1,8-dimethylcyclotetradecan-1-amine?
8-bromo-1,8-dimethylcyclotetradecan-1-amine has a molecular weight of 318.34 g/mol, XLogP of 5.55, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-1,8-dimethylcyclotetradecan-1-amine is sourced from PubChem (CID 70892255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).