zinc;N,N-dimethylbut-3-yn-1-amine;ethane

C8H15NZn — CID 85439298

IUPACzinc;N,N-dimethylbut-3-yn-1-amine;ethane
SMILES[C-]#CCCN(C)C.[CH2-]C.[Zn+2]
InChIInChI=1S/C6H10N.C2H5.Zn/c1-4-5-6-7(2)3;1-2;/h5-6H2,2-3H3;1H2,2H3;/q2*-1;+2
InChIKeyUDBSFSJBJWGHKI-UHFFFAOYSA-N
MW190.60 g/mol
LogP1.37
Rot. Bonds2

About zinc;N,N-dimethylbut-3-yn-1-amine;ethane

zinc;N,N-dimethylbut-3-yn-1-amine;ethane (PubChem CID 85439298) has the molecular formula C8H15NZn and a molecular weight of 190.60 g/mol. Its IUPAC name is zinc;N,N-dimethylbut-3-yn-1-amine;ethane.

Molecular Properties

Compound Namezinc;N,N-dimethylbut-3-yn-1-amine;ethane
PubChem CID85439298
Molecular FormulaC8H15NZn
Molecular Weight190.60 g/mol
Exact Mass189.05
IUPAC Namezinc;N,N-dimethylbut-3-yn-1-amine;ethane
SMILES[C-]#CCCN(C)C.[CH2-]C.[Zn+2]
InChIInChI=1S/C6H10N.C2H5.Zn/c1-4-5-6-7(2)3;1-2;/h5-6H2,2-3H3;1H2,2H3;/q2*-1;+2
InChIKeyUDBSFSJBJWGHKI-UHFFFAOYSA-N
XLogP1.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.60
LogP ≤ 51.37
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of zinc;N,N-dimethylbut-3-yn-1-amine;ethane?
The IUPAC name of zinc;N,N-dimethylbut-3-yn-1-amine;ethane (CID 85439298) is zinc;N,N-dimethylbut-3-yn-1-amine;ethane.
What is the SMILES notation for zinc;N,N-dimethylbut-3-yn-1-amine;ethane?
The canonical SMILES for zinc;N,N-dimethylbut-3-yn-1-amine;ethane is [C-]#CCCN(C)C.[CH2-]C.[Zn+2].
What is the InChIKey of zinc;N,N-dimethylbut-3-yn-1-amine;ethane?
The InChIKey is UDBSFSJBJWGHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N.C2H5.Zn/c1-4-5-6-7(2)3;1-2;/h5-6H2,2-3H3;1H2,2H3;/q2*-1;+2.
What are the key properties of zinc;N,N-dimethylbut-3-yn-1-amine;ethane?
zinc;N,N-dimethylbut-3-yn-1-amine;ethane has a molecular weight of 190.60 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;N,N-dimethylbut-3-yn-1-amine;ethane is sourced from PubChem (CID 85439298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).