ethane;N-[[1-(ethylamino)-2-hydroxyethyl]amino]nitrous amide

C6H18N4O2 — CID 155182845

IUPACethane;N-[[1-(ethylamino)-2-hydroxyethyl]amino]nitrous amide
SMILESCC.CCNC(CO)NNN=O
InChIInChI=1S/C4H12N4O2.C2H6/c1-2-5-4(3-9)6-7-8-10;1-2/h4-5,9H,2-3H2,1H3,(H,6,8)(H,7,10);1-2H3
InChIKeyQYZVSVAEOPLUFN-UHFFFAOYSA-N
MW178.24 g/mol
LogP-0.28
Rot. Bonds6

About ethane;N-[[1-(ethylamino)-2-hydroxyethyl]amino]nitrous amide

ethane;N-[[1-(ethylamino)-2-hydroxyethyl]amino]nitrous amide (PubChem CID 155182845) has the molecular formula C6H18N4O2 and a molecular weight of 178.24 g/mol. Its IUPAC name is ethane;N-[[1-(ethylamino)-2-hydroxyethyl]amino]nitrous amide.

Molecular Properties

Compound Nameethane;N-[[1-(ethylamino)-2-hydroxyethyl]amino]nitrous amide
PubChem CID155182845
Molecular FormulaC6H18N4O2
Molecular Weight178.24 g/mol
Exact Mass178.14
IUPAC Nameethane;N-[[1-(ethylamino)-2-hydroxyethyl]amino]nitrous amide
SMILESCC.CCNC(CO)NNN=O
InChIInChI=1S/C4H12N4O2.C2H6/c1-2-5-4(3-9)6-7-8-10;1-2/h4-5,9H,2-3H2,1H3,(H,6,8)(H,7,10);1-2H3
InChIKeyQYZVSVAEOPLUFN-UHFFFAOYSA-N
XLogP-0.28
TPSA85.75 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 5-0.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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 ethane;N-[[1-(ethylamino)-2-hydroxyethyl]amino]nitrous amide?
The IUPAC name of ethane;N-[[1-(ethylamino)-2-hydroxyethyl]amino]nitrous amide (CID 155182845) is ethane;N-[[1-(ethylamino)-2-hydroxyethyl]amino]nitrous amide.
What is the SMILES notation for ethane;N-[[1-(ethylamino)-2-hydroxyethyl]amino]nitrous amide?
The canonical SMILES for ethane;N-[[1-(ethylamino)-2-hydroxyethyl]amino]nitrous amide is CC.CCNC(CO)NNN=O.
What is the InChIKey of ethane;N-[[1-(ethylamino)-2-hydroxyethyl]amino]nitrous amide?
The InChIKey is QYZVSVAEOPLUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N4O2.C2H6/c1-2-5-4(3-9)6-7-8-10;1-2/h4-5,9H,2-3H2,1H3,(H,6,8)(H,7,10);1-2H3.
What are the key properties of ethane;N-[[1-(ethylamino)-2-hydroxyethyl]amino]nitrous amide?
ethane;N-[[1-(ethylamino)-2-hydroxyethyl]amino]nitrous amide has a molecular weight of 178.24 g/mol, XLogP of -0.28, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[[1-(ethylamino)-2-hydroxyethyl]amino]nitrous amide is sourced from PubChem (CID 155182845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).