6-bromo-N-pentylhexan-1-amine

C11H24BrN — CID 107844161

IUPAC6-bromo-N-pentylhexan-1-amine
SMILESCCCCCNCCCCCCBr
InChIInChI=1S/C11H24BrN/c1-2-3-7-10-13-11-8-5-4-6-9-12/h13H,2-11H2,1H3
InChIKeyVCVQGYGPXLJAFZ-UHFFFAOYSA-N
MW250.22 g/mol
LogP3.72
Rot. Bonds10

About 6-bromo-N-pentylhexan-1-amine

6-bromo-N-pentylhexan-1-amine (PubChem CID 107844161) has the molecular formula C11H24BrN and a molecular weight of 250.22 g/mol. Its IUPAC name is 6-bromo-N-pentylhexan-1-amine.

Molecular Properties

Compound Name6-bromo-N-pentylhexan-1-amine
PubChem CID107844161
Molecular FormulaC11H24BrN
Molecular Weight250.22 g/mol
Exact Mass249.11
IUPAC Name6-bromo-N-pentylhexan-1-amine
SMILESCCCCCNCCCCCCBr
InChIInChI=1S/C11H24BrN/c1-2-3-7-10-13-11-8-5-4-6-9-12/h13H,2-11H2,1H3
InChIKeyVCVQGYGPXLJAFZ-UHFFFAOYSA-N
XLogP3.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(5-bromopentyl)octan-1-amine
CID 107320236
5-bromo-N-pentylpentan-1-amine
CID 107320303
N-(2-bromoethyl)octan-1-amine
CID 115573283
N-hexyltridecan-1-amine
CID 87659278
octane;N-octylnonan-1-amine
CID 145152206
N-undecyltetradecan-1-amine
CID 166059375
N,N'-diheptyldecane-1,10-diamine
CID 3028161
N,N'-diheptylhexane-1,6-diamine
CID 3028571
N-docosyldocosan-1-amine;hydrochloride
CID 173181498
N,N'-di(nonyl)ethane-1,2-diamine
CID 151189669
methane;N-octyloctan-1-amine
CID 87294693
N-butyltetradecan-1-amine
CID 3548872

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-pentylhexan-1-amine?
The IUPAC name of 6-bromo-N-pentylhexan-1-amine (CID 107844161) is 6-bromo-N-pentylhexan-1-amine.
What is the SMILES notation for 6-bromo-N-pentylhexan-1-amine?
The canonical SMILES for 6-bromo-N-pentylhexan-1-amine is CCCCCNCCCCCCBr.
What is the InChIKey of 6-bromo-N-pentylhexan-1-amine?
The InChIKey is VCVQGYGPXLJAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24BrN/c1-2-3-7-10-13-11-8-5-4-6-9-12/h13H,2-11H2,1H3.
What are the key properties of 6-bromo-N-pentylhexan-1-amine?
6-bromo-N-pentylhexan-1-amine has a molecular weight of 250.22 g/mol, XLogP of 3.72, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-pentylhexan-1-amine is sourced from PubChem (CID 107844161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).