N-tert-butyl-N',N'-diethylmethanediamine;chlorogold

C9H21AuClN2- — CID 135028320

IUPACN-tert-butyl-N',N'-diethylmethanediamine;chlorogold
SMILESCCN([CH-]NC(C)(C)C)CC.Cl[Au]
InChIInChI=1S/C9H21N2.Au.ClH/c1-6-11(7-2)8-10-9(3,4)5;;/h8,10H,6-7H2,1-5H3;;1H/q-1;+1;/p-1
InChIKeyLBWLCGAQUNZOKZ-UHFFFAOYSA-M
MW389.70 g/mol
LogP2.52
Rot. Bonds4

About N-tert-butyl-N',N'-diethylmethanediamine;chlorogold

N-tert-butyl-N',N'-diethylmethanediamine;chlorogold (PubChem CID 135028320) has the molecular formula C9H21AuClN2- and a molecular weight of 389.70 g/mol. Its IUPAC name is N-tert-butyl-N',N'-diethylmethanediamine;chlorogold.

Molecular Properties

Compound NameN-tert-butyl-N',N'-diethylmethanediamine;chlorogold
PubChem CID135028320
Molecular FormulaC9H21AuClN2-
Molecular Weight389.70 g/mol
Exact Mass389.11
IUPAC NameN-tert-butyl-N',N'-diethylmethanediamine;chlorogold
SMILESCCN([CH-]NC(C)(C)C)CC.Cl[Au]
InChIInChI=1S/C9H21N2.Au.ClH/c1-6-11(7-2)8-10-9(3,4)5;;/h8,10H,6-7H2,1-5H3;;1H/q-1;+1;/p-1
InChIKeyLBWLCGAQUNZOKZ-UHFFFAOYSA-M
XLogP2.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.70
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-tert-butyl-N',N'-diethylmethanediamine;chlorogold?
The IUPAC name of N-tert-butyl-N',N'-diethylmethanediamine;chlorogold (CID 135028320) is N-tert-butyl-N',N'-diethylmethanediamine;chlorogold.
What is the SMILES notation for N-tert-butyl-N',N'-diethylmethanediamine;chlorogold?
The canonical SMILES for N-tert-butyl-N',N'-diethylmethanediamine;chlorogold is CCN([CH-]NC(C)(C)C)CC.Cl[Au].
What is the InChIKey of N-tert-butyl-N',N'-diethylmethanediamine;chlorogold?
The InChIKey is LBWLCGAQUNZOKZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H21N2.Au.ClH/c1-6-11(7-2)8-10-9(3,4)5;;/h8,10H,6-7H2,1-5H3;;1H/q-1;+1;/p-1.
What are the key properties of N-tert-butyl-N',N'-diethylmethanediamine;chlorogold?
N-tert-butyl-N',N'-diethylmethanediamine;chlorogold has a molecular weight of 389.70 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N',N'-diethylmethanediamine;chlorogold is sourced from PubChem (CID 135028320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).