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

C8H20N4O3 — CID 170698241

IUPAC[amino-[2-(dipropylamino)ethyl]amino] nitrate
SMILESCCCN(CCC)CCN(N)O[N+](=O)[O-]
InChIInChI=1S/C8H20N4O3/c1-3-5-10(6-4-2)7-8-11(9)15-12(13)14/h3-9H2,1-2H3
InChIKeyXSTFYNPSCNSMSN-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.41
Rot. Bonds9

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

[amino-[2-(dipropylamino)ethyl]amino] nitrate (PubChem CID 170698241) has the molecular formula C8H20N4O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is [amino-[2-(dipropylamino)ethyl]amino] nitrate.

Molecular Properties

Compound Name[amino-[2-(dipropylamino)ethyl]amino] nitrate
PubChem CID170698241
Molecular FormulaC8H20N4O3
Molecular Weight220.27 g/mol
Exact Mass220.15
IUPAC Name[amino-[2-(dipropylamino)ethyl]amino] nitrate
SMILESCCCN(CCC)CCN(N)O[N+](=O)[O-]
InChIInChI=1S/C8H20N4O3/c1-3-5-10(6-4-2)7-8-11(9)15-12(13)14/h3-9H2,1-2H3
InChIKeyXSTFYNPSCNSMSN-UHFFFAOYSA-N
XLogP0.41
TPSA84.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.41
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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Frequently Asked Questions

What is the IUPAC name of [amino-[2-(dipropylamino)ethyl]amino] nitrate?
The IUPAC name of [amino-[2-(dipropylamino)ethyl]amino] nitrate (CID 170698241) is [amino-[2-(dipropylamino)ethyl]amino] nitrate.
What is the SMILES notation for [amino-[2-(dipropylamino)ethyl]amino] nitrate?
The canonical SMILES for [amino-[2-(dipropylamino)ethyl]amino] nitrate is CCCN(CCC)CCN(N)O[N+](=O)[O-].
What is the InChIKey of [amino-[2-(dipropylamino)ethyl]amino] nitrate?
The InChIKey is XSTFYNPSCNSMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N4O3/c1-3-5-10(6-4-2)7-8-11(9)15-12(13)14/h3-9H2,1-2H3.
What are the key properties of [amino-[2-(dipropylamino)ethyl]amino] nitrate?
[amino-[2-(dipropylamino)ethyl]amino] nitrate has a molecular weight of 220.27 g/mol, XLogP of 0.41, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-[2-(dipropylamino)ethyl]amino] nitrate is sourced from PubChem (CID 170698241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).