ethanol;ethoxyethane;methane;N,N,N'-trimethyl-N'-(2-methylbutan-2-yl)methanediamine

C20H58N2O2 — CID 159072607

IUPACethanol;ethoxyethane;methane;N,N,N'-trimethyl-N'-(2-methylbutan-2-yl)methanediamine
SMILESC.C.C.C.C.CCC(C)(C)N(C)CN(C)C.CCO.CCOCC
InChIInChI=1S/C9H22N2.C4H10O.C2H6O.5CH4/c1-7-9(2,3)11(6)8-10(4)5;1-3-5-4-2;1-2-3;;;;;/h7-8H2,1-6H3;3-4H2,1-2H3;3H,2H2,1H3;5*1H4
InChIKeyJZVWWBITHZCUOZ-UHFFFAOYSA-N
MW358.70 g/mol
LogP5.85
Rot. Bonds6

About ethanol;ethoxyethane;methane;N,N,N'-trimethyl-N'-(2-methylbutan-2-yl)methanediamine

ethanol;ethoxyethane;methane;N,N,N'-trimethyl-N'-(2-methylbutan-2-yl)methanediamine (PubChem CID 159072607) has the molecular formula C20H58N2O2 and a molecular weight of 358.70 g/mol. Its IUPAC name is ethanol;ethoxyethane;methane;N,N,N'-trimethyl-N'-(2-methylbutan-2-yl)methanediamine.

Molecular Properties

Compound Nameethanol;ethoxyethane;methane;N,N,N'-trimethyl-N'-(2-methylbutan-2-yl)methanediamine
PubChem CID159072607
Molecular FormulaC20H58N2O2
Molecular Weight358.70 g/mol
Exact Mass358.45
IUPAC Nameethanol;ethoxyethane;methane;N,N,N'-trimethyl-N'-(2-methylbutan-2-yl)methanediamine
SMILESC.C.C.C.C.CCC(C)(C)N(C)CN(C)C.CCO.CCOCC
InChIInChI=1S/C9H22N2.C4H10O.C2H6O.5CH4/c1-7-9(2,3)11(6)8-10(4)5;1-3-5-4-2;1-2-3;;;;;/h7-8H2,1-6H3;3-4H2,1-2H3;3H,2H2,1H3;5*1H4
InChIKeyJZVWWBITHZCUOZ-UHFFFAOYSA-N
XLogP5.85
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.70
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethanol;ethoxyethane;methane;N,N,N'-trimethyl-N'-(2-methylbutan-2-yl)methanediamine?
The IUPAC name of ethanol;ethoxyethane;methane;N,N,N'-trimethyl-N'-(2-methylbutan-2-yl)methanediamine (CID 159072607) is ethanol;ethoxyethane;methane;N,N,N'-trimethyl-N'-(2-methylbutan-2-yl)methanediamine.
What is the SMILES notation for ethanol;ethoxyethane;methane;N,N,N'-trimethyl-N'-(2-methylbutan-2-yl)methanediamine?
The canonical SMILES for ethanol;ethoxyethane;methane;N,N,N'-trimethyl-N'-(2-methylbutan-2-yl)methanediamine is C.C.C.C.C.CCC(C)(C)N(C)CN(C)C.CCO.CCOCC.
What is the InChIKey of ethanol;ethoxyethane;methane;N,N,N'-trimethyl-N'-(2-methylbutan-2-yl)methanediamine?
The InChIKey is JZVWWBITHZCUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2.C4H10O.C2H6O.5CH4/c1-7-9(2,3)11(6)8-10(4)5;1-3-5-4-2;1-2-3;;;;;/h7-8H2,1-6H3;3-4H2,1-2H3;3H,2H2,1H3;5*1H4.
What are the key properties of ethanol;ethoxyethane;methane;N,N,N'-trimethyl-N'-(2-methylbutan-2-yl)methanediamine?
ethanol;ethoxyethane;methane;N,N,N'-trimethyl-N'-(2-methylbutan-2-yl)methanediamine has a molecular weight of 358.70 g/mol, XLogP of 5.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;ethoxyethane;methane;N,N,N'-trimethyl-N'-(2-methylbutan-2-yl)methanediamine is sourced from PubChem (CID 159072607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).