[amino-[2-(diethylamino)ethyl]amino] nitrate

C6H16N4O3 — CID 170698232

IUPAC[amino-[2-(diethylamino)ethyl]amino] nitrate
SMILESCCN(CC)CCN(N)O[N+](=O)[O-]
InChIInChI=1S/C6H16N4O3/c1-3-8(4-2)5-6-9(7)13-10(11)12/h3-7H2,1-2H3
InChIKeyQDUVGBZAWDIBTD-UHFFFAOYSA-N
MW192.22 g/mol
LogP-0.37
Rot. Bonds7

About [amino-[2-(diethylamino)ethyl]amino] nitrate

[amino-[2-(diethylamino)ethyl]amino] nitrate (PubChem CID 170698232) has the molecular formula C6H16N4O3 and a molecular weight of 192.22 g/mol. Its IUPAC name is [amino-[2-(diethylamino)ethyl]amino] nitrate.

Molecular Properties

Compound Name[amino-[2-(diethylamino)ethyl]amino] nitrate
PubChem CID170698232
Molecular FormulaC6H16N4O3
Molecular Weight192.22 g/mol
Exact Mass192.12
IUPAC Name[amino-[2-(diethylamino)ethyl]amino] nitrate
SMILESCCN(CC)CCN(N)O[N+](=O)[O-]
InChIInChI=1S/C6H16N4O3/c1-3-8(4-2)5-6-9(7)13-10(11)12/h3-7H2,1-2H3
InChIKeyQDUVGBZAWDIBTD-UHFFFAOYSA-N
XLogP-0.37
TPSA84.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[amino-[2-(dipropylamino)ethyl]amino] nitrate
CID 170698241
[amino(2-hydrazinylethyl)amino] nitrate
CID 170698240
dicopper;dioxidanium;bis(N,N,N',N'-tetraethylethane-1,2-diamine)
CID 4558005
2-(diethylamino)ethyl 4-nitrobenzoate;hydrochloride
CID 12718038
2-(diethylamino)ethyl (4-nitrophenyl) carbonate
CID 23330309
bis[3-(diethylamino)propyl] carbonate
CID 18944359
methyl 2-[bis[2-(diethylamino)ethyl]amino]acetate
CID 142240195
cadmium(2+);2-(diethylamino)ethanethiol;diacetate
CID 157171436
2-[bis[2-(diethylamino)ethyl]amino]ethanol
CID 154212558
N,N,N'-triethyl-N'-oxidoethane-1,2-diamine
CID 172556046
2-[2-(diethylamino)ethyl-ethylamino]ethanol
CID 18435173
N'-(2-aminoethyl)-N'-[2-(diethylamino)ethyl]ethane-1,2-diamine
CID 107912667

Frequently Asked Questions

What is the IUPAC name of [amino-[2-(diethylamino)ethyl]amino] nitrate?
The IUPAC name of [amino-[2-(diethylamino)ethyl]amino] nitrate (CID 170698232) is [amino-[2-(diethylamino)ethyl]amino] nitrate.
What is the SMILES notation for [amino-[2-(diethylamino)ethyl]amino] nitrate?
The canonical SMILES for [amino-[2-(diethylamino)ethyl]amino] nitrate is CCN(CC)CCN(N)O[N+](=O)[O-].
What is the InChIKey of [amino-[2-(diethylamino)ethyl]amino] nitrate?
The InChIKey is QDUVGBZAWDIBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N4O3/c1-3-8(4-2)5-6-9(7)13-10(11)12/h3-7H2,1-2H3.
What are the key properties of [amino-[2-(diethylamino)ethyl]amino] nitrate?
[amino-[2-(diethylamino)ethyl]amino] nitrate has a molecular weight of 192.22 g/mol, XLogP of -0.37, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-[2-(diethylamino)ethyl]amino] nitrate is sourced from PubChem (CID 170698232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).