N'-[2-[2-nitrosoethyl(oxido)amino]ethyl]ethane-1,2-diamine

C6H15N4O2- — CID 173325214

IUPACN'-[2-[2-nitrosoethyl(oxido)amino]ethyl]ethane-1,2-diamine
SMILESNCCNCCN([O-])CCN=O
InChIInChI=1S/C6H15N4O2/c7-1-2-8-3-5-10(12)6-4-9-11/h8H,1-7H2/q-1
InChIKeyMQQGSTXDVGPBRA-UHFFFAOYSA-N
MW175.21 g/mol
LogP-0.90
Rot. Bonds8

About N'-[2-[2-nitrosoethyl(oxido)amino]ethyl]ethane-1,2-diamine

N'-[2-[2-nitrosoethyl(oxido)amino]ethyl]ethane-1,2-diamine (PubChem CID 173325214) has the molecular formula C6H15N4O2- and a molecular weight of 175.21 g/mol. Its IUPAC name is N'-[2-[2-nitrosoethyl(oxido)amino]ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-[2-nitrosoethyl(oxido)amino]ethyl]ethane-1,2-diamine
PubChem CID173325214
Molecular FormulaC6H15N4O2-
Molecular Weight175.21 g/mol
Exact Mass175.12
IUPAC NameN'-[2-[2-nitrosoethyl(oxido)amino]ethyl]ethane-1,2-diamine
SMILESNCCNCCN([O-])CCN=O
InChIInChI=1S/C6H15N4O2/c7-1-2-8-3-5-10(12)6-4-9-11/h8H,1-7H2/q-1
InChIKeyMQQGSTXDVGPBRA-UHFFFAOYSA-N
XLogP-0.90
TPSA93.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.21
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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'-[2-[2-nitrosoethyl(oxido)amino]ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-[2-nitrosoethyl(oxido)amino]ethyl]ethane-1,2-diamine (CID 173325214) is N'-[2-[2-nitrosoethyl(oxido)amino]ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-[2-nitrosoethyl(oxido)amino]ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-[2-nitrosoethyl(oxido)amino]ethyl]ethane-1,2-diamine is NCCNCCN([O-])CCN=O.
What is the InChIKey of N'-[2-[2-nitrosoethyl(oxido)amino]ethyl]ethane-1,2-diamine?
The InChIKey is MQQGSTXDVGPBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N4O2/c7-1-2-8-3-5-10(12)6-4-9-11/h8H,1-7H2/q-1.
What are the key properties of N'-[2-[2-nitrosoethyl(oxido)amino]ethyl]ethane-1,2-diamine?
N'-[2-[2-nitrosoethyl(oxido)amino]ethyl]ethane-1,2-diamine has a molecular weight of 175.21 g/mol, XLogP of -0.90, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[2-nitrosoethyl(oxido)amino]ethyl]ethane-1,2-diamine is sourced from PubChem (CID 173325214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).