zinc;ethane;N-propyl-N-propylpropan-1-amine

C11H25NZn — CID 171588522

IUPACzinc;ethane;N-propyl-N-propylpropan-1-amine
SMILES[CH2-]C.[CH2-]CCN(CCC)CCC.[Zn+2]
InChIInChI=1S/C9H20N.C2H5.Zn/c1-4-7-10(8-5-2)9-6-3;1-2;/h1,4-9H2,2-3H3;1H2,2H3;/q2*-1;+2
InChIKeyYOERLINZOAOFNP-UHFFFAOYSA-N
MW236.72 g/mol
LogP3.17
Rot. Bonds6

About zinc;ethane;N-propyl-N-propylpropan-1-amine

zinc;ethane;N-propyl-N-propylpropan-1-amine (PubChem CID 171588522) has the molecular formula C11H25NZn and a molecular weight of 236.72 g/mol. Its IUPAC name is zinc;ethane;N-propyl-N-propylpropan-1-amine.

Molecular Properties

Compound Namezinc;ethane;N-propyl-N-propylpropan-1-amine
PubChem CID171588522
Molecular FormulaC11H25NZn
Molecular Weight236.72 g/mol
Exact Mass235.13
IUPAC Namezinc;ethane;N-propyl-N-propylpropan-1-amine
SMILES[CH2-]C.[CH2-]CCN(CCC)CCC.[Zn+2]
InChIInChI=1S/C9H20N.C2H5.Zn/c1-4-7-10(8-5-2)9-6-3;1-2;/h1,4-9H2,2-3H3;1H2,2H3;/q2*-1;+2
InChIKeyYOERLINZOAOFNP-UHFFFAOYSA-N
XLogP3.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.72
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Butylpyrrolidine
CID 69843
1-Butyl-1-methylpyrrolidinium chloride
CID 11769095
1-Methyl-1-propylpyrrolidinium iodide
CID 12059922
1-Ethyl-1-methylpyrrolidinium bromide
CID 112264
1-Butyl-1-methylpyrrolidinium bromide
CID 11009532
1-Methyl-1-propylpyrrolidinium chloride
CID 60196394
1-Butyl-1-methylpyrrolidinium iodide
CID 11076461
1-Ethyl-1-methylpyrrolidinium iodide
CID 12059921
Pyrrolidinium, 1,1-diethyl-, bromide
CID 122438
1-Methyl-1-propylpyrrolidinium bromide
CID 16719897
Pyrrolidine, 1-(2-methylpropyl)-
CID 142348
1-Butyl-1-methylpyrrolidinium
CID 11009533

Frequently Asked Questions

What is the IUPAC name of zinc;ethane;N-propyl-N-propylpropan-1-amine?
The IUPAC name of zinc;ethane;N-propyl-N-propylpropan-1-amine (CID 171588522) is zinc;ethane;N-propyl-N-propylpropan-1-amine.
What is the SMILES notation for zinc;ethane;N-propyl-N-propylpropan-1-amine?
The canonical SMILES for zinc;ethane;N-propyl-N-propylpropan-1-amine is [CH2-]C.[CH2-]CCN(CCC)CCC.[Zn+2].
What is the InChIKey of zinc;ethane;N-propyl-N-propylpropan-1-amine?
The InChIKey is YOERLINZOAOFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N.C2H5.Zn/c1-4-7-10(8-5-2)9-6-3;1-2;/h1,4-9H2,2-3H3;1H2,2H3;/q2*-1;+2.
What are the key properties of zinc;ethane;N-propyl-N-propylpropan-1-amine?
zinc;ethane;N-propyl-N-propylpropan-1-amine has a molecular weight of 236.72 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;ethane;N-propyl-N-propylpropan-1-amine is sourced from PubChem (CID 171588522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).