(Z)-[ethyl-[2-(ethylamino)ethyl]amino]-hydroxyimino-oxidoazanium

C6H16N4O2 — CID 135512446

IUPAC(Z)-[ethyl-[2-(ethylamino)ethyl]amino]-hydroxyimino-oxidoazanium
SMILESCCNCCN(CC)/[N+]([O-])=N/O
InChIInChI=1S/C6H16N4O2/c1-3-7-5-6-9(4-2)10(12)8-11/h7,11H,3-6H2,1-2H3/b10-8-
InChIKeyDPKCLDSTXVCYSN-NTMALXAHSA-N
MW176.22 g/mol
LogP0.18
Rot. Bonds6

About (Z)-[ethyl-[2-(ethylamino)ethyl]amino]-hydroxyimino-oxidoazanium

(Z)-[ethyl-[2-(ethylamino)ethyl]amino]-hydroxyimino-oxidoazanium (PubChem CID 135512446) has the molecular formula C6H16N4O2 and a molecular weight of 176.22 g/mol. Its IUPAC name is (Z)-[ethyl-[2-(ethylamino)ethyl]amino]-hydroxyimino-oxidoazanium.

Molecular Properties

Compound Name(Z)-[ethyl-[2-(ethylamino)ethyl]amino]-hydroxyimino-oxidoazanium
PubChem CID135512446
Molecular FormulaC6H16N4O2
Molecular Weight176.22 g/mol
Exact Mass176.13
IUPAC Name(Z)-[ethyl-[2-(ethylamino)ethyl]amino]-hydroxyimino-oxidoazanium
SMILESCCNCCN(CC)/[N+]([O-])=N/O
InChIInChI=1S/C6H16N4O2/c1-3-7-5-6-9(4-2)10(12)8-11/h7,11H,3-6H2,1-2H3/b10-8-
InChIKeyDPKCLDSTXVCYSN-NTMALXAHSA-N
XLogP0.18
TPSA73.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-[ethyl-[2-(ethylamino)ethyl]amino]-hydroxyimino-oxidoazanium?
The IUPAC name of (Z)-[ethyl-[2-(ethylamino)ethyl]amino]-hydroxyimino-oxidoazanium (CID 135512446) is (Z)-[ethyl-[2-(ethylamino)ethyl]amino]-hydroxyimino-oxidoazanium.
What is the SMILES notation for (Z)-[ethyl-[2-(ethylamino)ethyl]amino]-hydroxyimino-oxidoazanium?
The canonical SMILES for (Z)-[ethyl-[2-(ethylamino)ethyl]amino]-hydroxyimino-oxidoazanium is CCNCCN(CC)/[N+]([O-])=N/O.
What is the InChIKey of (Z)-[ethyl-[2-(ethylamino)ethyl]amino]-hydroxyimino-oxidoazanium?
The InChIKey is DPKCLDSTXVCYSN-NTMALXAHSA-N. The full InChI is InChI=1S/C6H16N4O2/c1-3-7-5-6-9(4-2)10(12)8-11/h7,11H,3-6H2,1-2H3/b10-8-.
What are the key properties of (Z)-[ethyl-[2-(ethylamino)ethyl]amino]-hydroxyimino-oxidoazanium?
(Z)-[ethyl-[2-(ethylamino)ethyl]amino]-hydroxyimino-oxidoazanium has a molecular weight of 176.22 g/mol, XLogP of 0.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-[ethyl-[2-(ethylamino)ethyl]amino]-hydroxyimino-oxidoazanium is sourced from PubChem (CID 135512446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).