N-bromohexadecan-1-amine;iron

C16H34BrFeN — CID 174774540

IUPACN-bromohexadecan-1-amine;iron
SMILESCCCCCCCCCCCCCCCCNBr.[Fe]
InChIInChI=1S/C16H34BrN.Fe/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-17;/h18H,2-16H2,1H3;
InChIKeySXVQKZUWNLMANL-UHFFFAOYSA-N
MW376.20 g/mol
LogP6.36
Rot. Bonds15

About N-bromohexadecan-1-amine;iron

N-bromohexadecan-1-amine;iron (PubChem CID 174774540) has the molecular formula C16H34BrFeN and a molecular weight of 376.20 g/mol. Its IUPAC name is N-bromohexadecan-1-amine;iron.

Molecular Properties

Compound NameN-bromohexadecan-1-amine;iron
PubChem CID174774540
Molecular FormulaC16H34BrFeN
Molecular Weight376.20 g/mol
Exact Mass375.12
IUPAC NameN-bromohexadecan-1-amine;iron
SMILESCCCCCCCCCCCCCCCCNBr.[Fe]
InChIInChI=1S/C16H34BrN.Fe/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-17;/h18H,2-16H2,1H3;
InChIKeySXVQKZUWNLMANL-UHFFFAOYSA-N
XLogP6.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.20
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 89240139
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CID 174706274
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CID 174706275
1-decyl-2-octylhydrazine
CID 154085192
1,2-diheptylhydrazine
CID 11195547
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-(tetracosylamino)oxytetracosan-1-amine
CID 134207792
N-(octadecylamino)oxyoctadecan-1-amine
CID 57437992

Frequently Asked Questions

What is the IUPAC name of N-bromohexadecan-1-amine;iron?
The IUPAC name of N-bromohexadecan-1-amine;iron (CID 174774540) is N-bromohexadecan-1-amine;iron.
What is the SMILES notation for N-bromohexadecan-1-amine;iron?
The canonical SMILES for N-bromohexadecan-1-amine;iron is CCCCCCCCCCCCCCCCNBr.[Fe].
What is the InChIKey of N-bromohexadecan-1-amine;iron?
The InChIKey is SXVQKZUWNLMANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34BrN.Fe/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-17;/h18H,2-16H2,1H3;.
What are the key properties of N-bromohexadecan-1-amine;iron?
N-bromohexadecan-1-amine;iron has a molecular weight of 376.20 g/mol, XLogP of 6.36, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-bromohexadecan-1-amine;iron is sourced from PubChem (CID 174774540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).