[[N'-[3-(diethylamino)propyl]carbamimidoyl]amino]-hydroxy-oxoazanium

C8H20N5O2+ — CID 6332029

IUPAC[[N'-[3-(diethylamino)propyl]carbamimidoyl]amino]-hydroxy-oxoazanium
SMILESCCN(CC)CCC/N=C(\N)N[N+](=O)O
InChIInChI=1S/C8H20N5O2/c1-3-12(4-2)7-5-6-10-8(9)11-13(14)15/h3-7H2,1-2H3,(H,14,15)(H3,9,10,11)/q+1
InChIKeyDWRAAMMUVULDCX-UHFFFAOYSA-N
MW218.28 g/mol
LogP-0.29
Rot. Bonds7

About [[N'-[3-(diethylamino)propyl]carbamimidoyl]amino]-hydroxy-oxoazanium

[[N'-[3-(diethylamino)propyl]carbamimidoyl]amino]-hydroxy-oxoazanium (PubChem CID 6332029) has the molecular formula C8H20N5O2+ and a molecular weight of 218.28 g/mol. Its IUPAC name is [[N'-[3-(diethylamino)propyl]carbamimidoyl]amino]-hydroxy-oxoazanium.

Molecular Properties

Compound Name[[N'-[3-(diethylamino)propyl]carbamimidoyl]amino]-hydroxy-oxoazanium
PubChem CID6332029
Molecular FormulaC8H20N5O2+
Molecular Weight218.28 g/mol
Exact Mass218.16
IUPAC Name[[N'-[3-(diethylamino)propyl]carbamimidoyl]amino]-hydroxy-oxoazanium
SMILESCCN(CC)CCC/N=C(\N)N[N+](=O)O
InChIInChI=1S/C8H20N5O2/c1-3-12(4-2)7-5-6-10-8(9)11-13(14)15/h3-7H2,1-2H3,(H,14,15)(H3,9,10,11)/q+1
InChIKeyDWRAAMMUVULDCX-UHFFFAOYSA-N
XLogP-0.29
TPSA93.96 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', '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 [[N'-[3-(diethylamino)propyl]carbamimidoyl]amino]-hydroxy-oxoazanium?
The IUPAC name of [[N'-[3-(diethylamino)propyl]carbamimidoyl]amino]-hydroxy-oxoazanium (CID 6332029) is [[N'-[3-(diethylamino)propyl]carbamimidoyl]amino]-hydroxy-oxoazanium.
What is the SMILES notation for [[N'-[3-(diethylamino)propyl]carbamimidoyl]amino]-hydroxy-oxoazanium?
The canonical SMILES for [[N'-[3-(diethylamino)propyl]carbamimidoyl]amino]-hydroxy-oxoazanium is CCN(CC)CCC/N=C(\N)N[N+](=O)O.
What is the InChIKey of [[N'-[3-(diethylamino)propyl]carbamimidoyl]amino]-hydroxy-oxoazanium?
The InChIKey is DWRAAMMUVULDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N5O2/c1-3-12(4-2)7-5-6-10-8(9)11-13(14)15/h3-7H2,1-2H3,(H,14,15)(H3,9,10,11)/q+1.
What are the key properties of [[N'-[3-(diethylamino)propyl]carbamimidoyl]amino]-hydroxy-oxoazanium?
[[N'-[3-(diethylamino)propyl]carbamimidoyl]amino]-hydroxy-oxoazanium has a molecular weight of 218.28 g/mol, XLogP of -0.29, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[N'-[3-(diethylamino)propyl]carbamimidoyl]amino]-hydroxy-oxoazanium is sourced from PubChem (CID 6332029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).