nickel;octan-1-amine

C8H18NNi- — CID 88808378

IUPACnickel;octan-1-amine
SMILESCCCCCCC[CH-]N.[Ni]
InChIInChI=1S/C8H18N.Ni/c1-2-3-4-5-6-7-8-9;/h8H,2-7,9H2,1H3;/q-1;
InChIKeyNHKDJJGPAULBFS-UHFFFAOYSA-N
MW186.93 g/mol
LogP2.46
Rot. Bonds6

About nickel;octan-1-amine

nickel;octan-1-amine (PubChem CID 88808378) has the molecular formula C8H18NNi- and a molecular weight of 186.93 g/mol. Its IUPAC name is nickel;octan-1-amine.

Molecular Properties

Compound Namenickel;octan-1-amine
PubChem CID88808378
Molecular FormulaC8H18NNi-
Molecular Weight186.93 g/mol
Exact Mass186.08
IUPAC Namenickel;octan-1-amine
SMILESCCCCCCC[CH-]N.[Ni]
InChIInChI=1S/C8H18N.Ni/c1-2-3-4-5-6-7-8-9;/h8H,2-7,9H2,1H3;/q-1;
InChIKeyNHKDJJGPAULBFS-UHFFFAOYSA-N
XLogP2.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.93
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

hexan-1-amine;molybdenum
CID 88689172
cobalt;pentan-1-amine
CID 140866322
heptane;nickel
CID 172769107
cobalt;hexan-1-amine;sulfuric acid
CID 88745651
heptadecane;hydrazine
CID 174880698
methanamine;tris(octane)
CID 173014836
decane;methanamine
CID 159574300
hydrazine;pentadecane
CID 174880620
methanamine;octane
CID 174301406
methanamine;nonane
CID 155694820
decane;heptane
CID 159049036
triacontane
CID 12535

Frequently Asked Questions

What is the IUPAC name of nickel;octan-1-amine?
The IUPAC name of nickel;octan-1-amine (CID 88808378) is nickel;octan-1-amine.
What is the SMILES notation for nickel;octan-1-amine?
The canonical SMILES for nickel;octan-1-amine is CCCCCCC[CH-]N.[Ni].
What is the InChIKey of nickel;octan-1-amine?
The InChIKey is NHKDJJGPAULBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N.Ni/c1-2-3-4-5-6-7-8-9;/h8H,2-7,9H2,1H3;/q-1;.
What are the key properties of nickel;octan-1-amine?
nickel;octan-1-amine has a molecular weight of 186.93 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for nickel;octan-1-amine is sourced from PubChem (CID 88808378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).