N-ethyl-N-propan-2-ylpropan-2-amine;zirconium

C8H18NZr- — CID 151057018

IUPACN-ethyl-N-propan-2-ylpropan-2-amine;zirconium
SMILES[CH2-]CN(C(C)C)C(C)C.[Zr]
InChIInChI=1S/C8H18N.Zr/c1-6-9(7(2)3)8(4)5;/h7-8H,1,6H2,2-5H3;/q-1;
InChIKeyAKWNZVLRIGQXPI-UHFFFAOYSA-N
MW219.46 g/mol
LogP1.94
Rot. Bonds3

About N-ethyl-N-propan-2-ylpropan-2-amine;zirconium

N-ethyl-N-propan-2-ylpropan-2-amine;zirconium (PubChem CID 151057018) has the molecular formula C8H18NZr- and a molecular weight of 219.46 g/mol. Its IUPAC name is N-ethyl-N-propan-2-ylpropan-2-amine;zirconium.

Molecular Properties

Compound NameN-ethyl-N-propan-2-ylpropan-2-amine;zirconium
PubChem CID151057018
Molecular FormulaC8H18NZr-
Molecular Weight219.46 g/mol
Exact Mass218.05
IUPAC NameN-ethyl-N-propan-2-ylpropan-2-amine;zirconium
SMILES[CH2-]CN(C(C)C)C(C)C.[Zr]
InChIInChI=1S/C8H18N.Zr/c1-6-9(7(2)3)8(4)5;/h7-8H,1,6H2,2-5H3;/q-1;
InChIKeyAKWNZVLRIGQXPI-UHFFFAOYSA-N
XLogP1.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.46
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-propan-2-ylpropan-2-amine;zirconium?
The IUPAC name of N-ethyl-N-propan-2-ylpropan-2-amine;zirconium (CID 151057018) is N-ethyl-N-propan-2-ylpropan-2-amine;zirconium.
What is the SMILES notation for N-ethyl-N-propan-2-ylpropan-2-amine;zirconium?
The canonical SMILES for N-ethyl-N-propan-2-ylpropan-2-amine;zirconium is [CH2-]CN(C(C)C)C(C)C.[Zr].
What is the InChIKey of N-ethyl-N-propan-2-ylpropan-2-amine;zirconium?
The InChIKey is AKWNZVLRIGQXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N.Zr/c1-6-9(7(2)3)8(4)5;/h7-8H,1,6H2,2-5H3;/q-1;.
What are the key properties of N-ethyl-N-propan-2-ylpropan-2-amine;zirconium?
N-ethyl-N-propan-2-ylpropan-2-amine;zirconium has a molecular weight of 219.46 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-propan-2-ylpropan-2-amine;zirconium is sourced from PubChem (CID 151057018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).