N',N'-diethylethane-1,2-diamine;gold(1+);2-methylpropanoate

C10H23AuN2O2 — CID 87289992

IUPACN',N'-diethylethane-1,2-diamine;gold(1+);2-methylpropanoate
SMILESCC(C)C(=O)[O-].CCN(CC)CCN.[Au+]
InChIInChI=1S/C6H16N2.C4H8O2.Au/c1-3-8(4-2)6-5-7;1-3(2)4(5)6;/h3-7H2,1-2H3;3H,1-2H3,(H,5,6);/q;;+1/p-1
InChIKeyBRBJTDWYMYMUQK-UHFFFAOYSA-M
MW400.27 g/mol
LogP-0.32
Rot. Bonds5

About N',N'-diethylethane-1,2-diamine;gold(1+);2-methylpropanoate

N',N'-diethylethane-1,2-diamine;gold(1+);2-methylpropanoate (PubChem CID 87289992) has the molecular formula C10H23AuN2O2 and a molecular weight of 400.27 g/mol. Its IUPAC name is N',N'-diethylethane-1,2-diamine;gold(1+);2-methylpropanoate.

Molecular Properties

Compound NameN',N'-diethylethane-1,2-diamine;gold(1+);2-methylpropanoate
PubChem CID87289992
Molecular FormulaC10H23AuN2O2
Molecular Weight400.27 g/mol
Exact Mass400.14
IUPAC NameN',N'-diethylethane-1,2-diamine;gold(1+);2-methylpropanoate
SMILESCC(C)C(=O)[O-].CCN(CC)CCN.[Au+]
InChIInChI=1S/C6H16N2.C4H8O2.Au/c1-3-8(4-2)6-5-7;1-3(2)4(5)6;/h3-7H2,1-2H3;3H,1-2H3,(H,5,6);/q;;+1/p-1
InChIKeyBRBJTDWYMYMUQK-UHFFFAOYSA-M
XLogP-0.32
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.27
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

acetic acid;N',N'-diethylethane-1,2-diamine
CID 175226296
ethane-1,2-diamine;gold(3+);tris(2-methylpropanoate)
CID 174680586
N'-(2-aminoethyl)-N'-[2-(diethylamino)ethyl]ethane-1,2-diamine
CID 107912667
2-[2-aminoethyl(ethyl)amino]acetic acid
CID 22667567
N'-[2-[bis(2-aminoethyl)amino]ethyl]-N'-ethylethane-1,2-diamine
CID 157466747
3-(diethylamino)propyl 2-methylpropanoate
CID 58333619
3-[2-aminoethyl(ethyl)amino]-N,N-dimethylpropanamide
CID 61351237
calcium bis(2-methylpropanoate)
CID 102602609
barium(2+);bis(2-methylpropanoate)
CID 23219604
tris(2-methylpropanoate);thallium(3+)
CID 173444614
dilithium bis(2-methylpropanoate)
CID 86626069
lithium;sodium;2-methylpropanoate;propanoate
CID 22366595

Frequently Asked Questions

What is the IUPAC name of N',N'-diethylethane-1,2-diamine;gold(1+);2-methylpropanoate?
The IUPAC name of N',N'-diethylethane-1,2-diamine;gold(1+);2-methylpropanoate (CID 87289992) is N',N'-diethylethane-1,2-diamine;gold(1+);2-methylpropanoate.
What is the SMILES notation for N',N'-diethylethane-1,2-diamine;gold(1+);2-methylpropanoate?
The canonical SMILES for N',N'-diethylethane-1,2-diamine;gold(1+);2-methylpropanoate is CC(C)C(=O)[O-].CCN(CC)CCN.[Au+].
What is the InChIKey of N',N'-diethylethane-1,2-diamine;gold(1+);2-methylpropanoate?
The InChIKey is BRBJTDWYMYMUQK-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H16N2.C4H8O2.Au/c1-3-8(4-2)6-5-7;1-3(2)4(5)6;/h3-7H2,1-2H3;3H,1-2H3,(H,5,6);/q;;+1/p-1.
What are the key properties of N',N'-diethylethane-1,2-diamine;gold(1+);2-methylpropanoate?
N',N'-diethylethane-1,2-diamine;gold(1+);2-methylpropanoate has a molecular weight of 400.27 g/mol, XLogP of -0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethylethane-1,2-diamine;gold(1+);2-methylpropanoate is sourced from PubChem (CID 87289992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).