N,N,N'-triethyl-N'-oxidoethane-1,2-diamine

C8H19N2O- — CID 172556046

IUPACN,N,N'-triethyl-N'-oxidoethane-1,2-diamine
SMILESCCN([O-])CCN(CC)CC
InChIInChI=1S/C8H19N2O/c1-4-9(5-2)7-8-10(11)6-3/h4-8H2,1-3H3/q-1
InChIKeyQGAMBXGYIHUBRO-UHFFFAOYSA-N
MW159.25 g/mol
LogP1.15
Rot. Bonds6

About N,N,N'-triethyl-N'-oxidoethane-1,2-diamine

N,N,N'-triethyl-N'-oxidoethane-1,2-diamine (PubChem CID 172556046) has the molecular formula C8H19N2O- and a molecular weight of 159.25 g/mol. Its IUPAC name is N,N,N'-triethyl-N'-oxidoethane-1,2-diamine.

Molecular Properties

Compound NameN,N,N'-triethyl-N'-oxidoethane-1,2-diamine
PubChem CID172556046
Molecular FormulaC8H19N2O-
Molecular Weight159.25 g/mol
Exact Mass159.15
IUPAC NameN,N,N'-triethyl-N'-oxidoethane-1,2-diamine
SMILESCCN([O-])CCN(CC)CC
InChIInChI=1S/C8H19N2O/c1-4-9(5-2)7-8-10(11)6-3/h4-8H2,1-3H3/q-1
InChIKeyQGAMBXGYIHUBRO-UHFFFAOYSA-N
XLogP1.15
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

dicopper;dioxidanium;bis(N,N,N',N'-tetraethylethane-1,2-diamine)
CID 4558005
barium(2+);bis(N-ethyl-N-oxidoethanamine)
CID 177496952
N',N'-diethyl-N,N-dimethylethane-1,2-diamine;ethane
CID 143296680
lithium 2-(diethylamino)ethanolate
CID 23694650
2-[bis[2-(diethylamino)ethyl]amino]ethanol
CID 154212558
N'-(2-aminoethyl)-N'-[2-(diethylamino)ethyl]ethane-1,2-diamine
CID 107912667
2-[2-(diethylamino)ethyl-ethylamino]ethanol
CID 18435173
N',N'-dibutyl-N,N-diethylethane-1,2-diamine
CID 91548124
N,N-diethylpropan-1-amine;methane
CID 144711865
N,N-diethylethanamine;ethane
CID 22114990
2-[2-(diethylamino)ethyl-(2-sulfanylethyl)amino]ethanethiol;hydrochloride
CID 158826540
N'-(3-bromopropyl)-N,N,N'-triethylethane-1,2-diamine
CID 107913911

Frequently Asked Questions

What is the IUPAC name of N,N,N'-triethyl-N'-oxidoethane-1,2-diamine?
The IUPAC name of N,N,N'-triethyl-N'-oxidoethane-1,2-diamine (CID 172556046) is N,N,N'-triethyl-N'-oxidoethane-1,2-diamine.
What is the SMILES notation for N,N,N'-triethyl-N'-oxidoethane-1,2-diamine?
The canonical SMILES for N,N,N'-triethyl-N'-oxidoethane-1,2-diamine is CCN([O-])CCN(CC)CC.
What is the InChIKey of N,N,N'-triethyl-N'-oxidoethane-1,2-diamine?
The InChIKey is QGAMBXGYIHUBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N2O/c1-4-9(5-2)7-8-10(11)6-3/h4-8H2,1-3H3/q-1.
What are the key properties of N,N,N'-triethyl-N'-oxidoethane-1,2-diamine?
N,N,N'-triethyl-N'-oxidoethane-1,2-diamine has a molecular weight of 159.25 g/mol, XLogP of 1.15, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-triethyl-N'-oxidoethane-1,2-diamine is sourced from PubChem (CID 172556046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).