N-(5-bromopentyl)octan-1-amine

C13H28BrN — CID 107320236

IUPACN-(5-bromopentyl)octan-1-amine
SMILESCCCCCCCCNCCCCCBr
InChIInChI=1S/C13H28BrN/c1-2-3-4-5-6-9-12-15-13-10-7-8-11-14/h15H,2-13H2,1H3
InChIKeyYVQXGAUMBMOCFI-UHFFFAOYSA-N
MW278.28 g/mol
LogP4.50
Rot. Bonds12

About N-(5-bromopentyl)octan-1-amine

N-(5-bromopentyl)octan-1-amine (PubChem CID 107320236) has the molecular formula C13H28BrN and a molecular weight of 278.28 g/mol. Its IUPAC name is N-(5-bromopentyl)octan-1-amine.

Molecular Properties

Compound NameN-(5-bromopentyl)octan-1-amine
PubChem CID107320236
Molecular FormulaC13H28BrN
Molecular Weight278.28 g/mol
Exact Mass277.14
IUPAC NameN-(5-bromopentyl)octan-1-amine
SMILESCCCCCCCCNCCCCCBr
InChIInChI=1S/C13H28BrN/c1-2-3-4-5-6-9-12-15-13-10-7-8-11-14/h15H,2-13H2,1H3
InChIKeyYVQXGAUMBMOCFI-UHFFFAOYSA-N
XLogP4.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 54.50
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

6-bromo-N-pentylhexan-1-amine
CID 107844161
5-bromo-N-pentylpentan-1-amine
CID 107320303
N-(2-bromoethyl)octan-1-amine
CID 115573283
octane;N-octylnonan-1-amine
CID 145152206
N-hexyltridecan-1-amine
CID 87659278
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 N-(5-bromopentyl)octan-1-amine?
The IUPAC name of N-(5-bromopentyl)octan-1-amine (CID 107320236) is N-(5-bromopentyl)octan-1-amine.
What is the SMILES notation for N-(5-bromopentyl)octan-1-amine?
The canonical SMILES for N-(5-bromopentyl)octan-1-amine is CCCCCCCCNCCCCCBr.
What is the InChIKey of N-(5-bromopentyl)octan-1-amine?
The InChIKey is YVQXGAUMBMOCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28BrN/c1-2-3-4-5-6-9-12-15-13-10-7-8-11-14/h15H,2-13H2,1H3.
What are the key properties of N-(5-bromopentyl)octan-1-amine?
N-(5-bromopentyl)octan-1-amine has a molecular weight of 278.28 g/mol, XLogP of 4.50, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromopentyl)octan-1-amine is sourced from PubChem (CID 107320236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).