N-bromooctan-1-amine

C8H18BrN — CID 89240139

IUPACN-bromooctan-1-amine
SMILESCCCCCCCCNBr
InChIInChI=1S/C8H18BrN/c1-2-3-4-5-6-7-8-10-9/h10H,2-8H2,1H3
InChIKeyVTDPAXNPNKDDLG-UHFFFAOYSA-N
MW208.14 g/mol
LogP3.25
Rot. Bonds7

About N-bromooctan-1-amine

N-bromooctan-1-amine (PubChem CID 89240139) has the molecular formula C8H18BrN and a molecular weight of 208.14 g/mol. Its IUPAC name is N-bromooctan-1-amine.

Molecular Properties

Compound NameN-bromooctan-1-amine
PubChem CID89240139
Molecular FormulaC8H18BrN
Molecular Weight208.14 g/mol
Exact Mass207.06
IUPAC NameN-bromooctan-1-amine
SMILESCCCCCCCCNBr
InChIInChI=1S/C8H18BrN/c1-2-3-4-5-6-7-8-10-9/h10H,2-8H2,1H3
InChIKeyVTDPAXNPNKDDLG-UHFFFAOYSA-N
XLogP3.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.14
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-bromopentadecan-1-amine
CID 174706274
N-bromohexadecan-1-amine;iron
CID 174774540
N-bromotridecan-1-amine;N,N-dimethylmethanamine
CID 174706275
1-decyl-2-octylhydrazine
CID 154085192
N-hexyltridecan-1-amine
CID 87659278
1,2-diheptylhydrazine
CID 11195547
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-(tetracosylamino)oxytetracosan-1-amine
CID 134207792
N-(octadecylamino)oxyoctadecan-1-amine
CID 57437992

Frequently Asked Questions

What is the IUPAC name of N-bromooctan-1-amine?
The IUPAC name of N-bromooctan-1-amine (CID 89240139) is N-bromooctan-1-amine.
What is the SMILES notation for N-bromooctan-1-amine?
The canonical SMILES for N-bromooctan-1-amine is CCCCCCCCNBr.
What is the InChIKey of N-bromooctan-1-amine?
The InChIKey is VTDPAXNPNKDDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18BrN/c1-2-3-4-5-6-7-8-10-9/h10H,2-8H2,1H3.
What are the key properties of N-bromooctan-1-amine?
N-bromooctan-1-amine has a molecular weight of 208.14 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-bromooctan-1-amine is sourced from PubChem (CID 89240139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).