(N-tert-butyl-C-ethylcarbonimidoyl)-[2-(dimethylamino)ethyl]azanide;nickel

C11H24N3Ni- — CID 153452869

IUPAC(N-tert-butyl-C-ethylcarbonimidoyl)-[2-(dimethylamino)ethyl]azanide;nickel
SMILESCC/C(=N\C(C)(C)C)[N-]CCN(C)C.[Ni]
InChIInChI=1S/C11H24N3.Ni/c1-7-10(13-11(2,3)4)12-8-9-14(5)6;/h7-9H2,1-6H3;/q-1;
InChIKeyCGRBKUYZMQUWPD-UHFFFAOYSA-N
MW257.03 g/mol
LogP2.53
Rot. Bonds4

About (N-tert-butyl-C-ethylcarbonimidoyl)-[2-(dimethylamino)ethyl]azanide;nickel

(N-tert-butyl-C-ethylcarbonimidoyl)-[2-(dimethylamino)ethyl]azanide;nickel (PubChem CID 153452869) has the molecular formula C11H24N3Ni- and a molecular weight of 257.03 g/mol. Its IUPAC name is (N-tert-butyl-C-ethylcarbonimidoyl)-[2-(dimethylamino)ethyl]azanide;nickel.

Molecular Properties

Compound Name(N-tert-butyl-C-ethylcarbonimidoyl)-[2-(dimethylamino)ethyl]azanide;nickel
PubChem CID153452869
Molecular FormulaC11H24N3Ni-
Molecular Weight257.03 g/mol
Exact Mass256.13
IUPAC Name(N-tert-butyl-C-ethylcarbonimidoyl)-[2-(dimethylamino)ethyl]azanide;nickel
SMILESCC/C(=N\C(C)(C)C)[N-]CCN(C)C.[Ni]
InChIInChI=1S/C11H24N3.Ni/c1-7-10(13-11(2,3)4)12-8-9-14(5)6;/h7-9H2,1-6H3;/q-1;
InChIKeyCGRBKUYZMQUWPD-UHFFFAOYSA-N
XLogP2.53
TPSA29.70 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.03
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (N-tert-butyl-C-ethylcarbonimidoyl)-[2-(dimethylamino)ethyl]azanide;nickel?
The IUPAC name of (N-tert-butyl-C-ethylcarbonimidoyl)-[2-(dimethylamino)ethyl]azanide;nickel (CID 153452869) is (N-tert-butyl-C-ethylcarbonimidoyl)-[2-(dimethylamino)ethyl]azanide;nickel.
What is the SMILES notation for (N-tert-butyl-C-ethylcarbonimidoyl)-[2-(dimethylamino)ethyl]azanide;nickel?
The canonical SMILES for (N-tert-butyl-C-ethylcarbonimidoyl)-[2-(dimethylamino)ethyl]azanide;nickel is CC/C(=N\C(C)(C)C)[N-]CCN(C)C.[Ni].
What is the InChIKey of (N-tert-butyl-C-ethylcarbonimidoyl)-[2-(dimethylamino)ethyl]azanide;nickel?
The InChIKey is CGRBKUYZMQUWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N3.Ni/c1-7-10(13-11(2,3)4)12-8-9-14(5)6;/h7-9H2,1-6H3;/q-1;.
What are the key properties of (N-tert-butyl-C-ethylcarbonimidoyl)-[2-(dimethylamino)ethyl]azanide;nickel?
(N-tert-butyl-C-ethylcarbonimidoyl)-[2-(dimethylamino)ethyl]azanide;nickel has a molecular weight of 257.03 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (N-tert-butyl-C-ethylcarbonimidoyl)-[2-(dimethylamino)ethyl]azanide;nickel is sourced from PubChem (CID 153452869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).