butan-1-amine;nickel;phenol

C10H17NNiO — CID 174463369

IUPACbutan-1-amine;nickel;phenol
SMILESCCCCN.Oc1ccccc1.[Ni]
InChIInChI=1S/C6H6O.C4H11N.Ni/c7-6-4-2-1-3-5-6;1-2-3-4-5;/h1-5,7H;2-5H2,1H3;
InChIKeyMUHLPJGMYIXIOL-UHFFFAOYSA-N
MW225.95 g/mol
LogP2.13
Rot. Bonds2

About butan-1-amine;nickel;phenol

butan-1-amine;nickel;phenol (PubChem CID 174463369) has the molecular formula C10H17NNiO and a molecular weight of 225.95 g/mol. Its IUPAC name is butan-1-amine;nickel;phenol.

Molecular Properties

Compound Namebutan-1-amine;nickel;phenol
PubChem CID174463369
Molecular FormulaC10H17NNiO
Molecular Weight225.95 g/mol
Exact Mass225.07
IUPAC Namebutan-1-amine;nickel;phenol
SMILESCCCCN.Oc1ccccc1.[Ni]
InChIInChI=1S/C6H6O.C4H11N.Ni/c7-6-4-2-1-3-5-6;1-2-3-4-5;/h1-5,7H;2-5H2,1H3;
InChIKeyMUHLPJGMYIXIOL-UHFFFAOYSA-N
XLogP2.13
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.95
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of butan-1-amine;nickel;phenol?
The IUPAC name of butan-1-amine;nickel;phenol (CID 174463369) is butan-1-amine;nickel;phenol.
What is the SMILES notation for butan-1-amine;nickel;phenol?
The canonical SMILES for butan-1-amine;nickel;phenol is CCCCN.Oc1ccccc1.[Ni].
What is the InChIKey of butan-1-amine;nickel;phenol?
The InChIKey is MUHLPJGMYIXIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O.C4H11N.Ni/c7-6-4-2-1-3-5-6;1-2-3-4-5;/h1-5,7H;2-5H2,1H3;.
What are the key properties of butan-1-amine;nickel;phenol?
butan-1-amine;nickel;phenol has a molecular weight of 225.95 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-amine;nickel;phenol is sourced from PubChem (CID 174463369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).