N-(2-aminoethyl)-N-[2-(2-aminoethylamino)ethyl]nitrous amide

C6H17N5O — CID 87376084

IUPACN-(2-aminoethyl)-N-[2-(2-aminoethylamino)ethyl]nitrous amide
SMILESNCCNCCN(CCN)N=O
InChIInChI=1S/C6H17N5O/c7-1-3-9-4-6-11(10-12)5-2-8/h9H,1-8H2
InChIKeyAJGXTBJITHWOQH-UHFFFAOYSA-N
MW175.24 g/mol
LogP-1.52
Rot. Bonds8

About N-(2-aminoethyl)-N-[2-(2-aminoethylamino)ethyl]nitrous amide

N-(2-aminoethyl)-N-[2-(2-aminoethylamino)ethyl]nitrous amide (PubChem CID 87376084) has the molecular formula C6H17N5O and a molecular weight of 175.24 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-[2-(2-aminoethylamino)ethyl]nitrous amide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-[2-(2-aminoethylamino)ethyl]nitrous amide
PubChem CID87376084
Molecular FormulaC6H17N5O
Molecular Weight175.24 g/mol
Exact Mass175.14
IUPAC NameN-(2-aminoethyl)-N-[2-(2-aminoethylamino)ethyl]nitrous amide
SMILESNCCNCCN(CCN)N=O
InChIInChI=1S/C6H17N5O/c7-1-3-9-4-6-11(10-12)5-2-8/h9H,1-8H2
InChIKeyAJGXTBJITHWOQH-UHFFFAOYSA-N
XLogP-1.52
TPSA96.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.24
LogP ≤ 5-1.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[2-[2-aminoethyl-[2-[2-[2-(2-aminoethylamino)ethyl-[2-[bis(2-aminoethyl)amino]ethyl]amino]ethylamino]ethyl]amino]ethyl]ethane-1,2-diamine
CID 171053693
N'-[2-[2-aminoethyl(iodo)amino]ethyl]ethane-1,2-diamine
CID 138548509
N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N'-(2-aminoethyl)ethane-1,2-diamine
CID 159410169
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
CID 5565
N'-[2-[2-[2-(2-aminoethylamino)ethyl-[2-[2-aminoethyl-[2-(2-aminoethylamino)ethyl]amino]ethyl]amino]ethyl-[2-[2-aminoethyl-[2-[bis(2-aminoethyl)amino]ethyl]amino]ethyl]amino]ethyl]propane-1,3-diamine
CID 59115025
N'-[2-[2-[2-[2-aminoethyl-[2-(methylamino)ethyl]amino]ethylamino]ethyl-[2-(methylamino)ethyl]amino]ethyl]ethane-1,2-diamine
CID 146523021
N'-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;pentahydrochloride
CID 10150970
N'-(2-aminoethyl)-N'-[2-(ethylamino)ethyl]ethane-1,2-diamine;N'-[2-(ethylamino)ethyl]ethane-1,2-diamine
CID 160516992
N'-[2-[2-[2-aminoethyl(tert-butyl)amino]ethylamino]ethyl]ethane-1,2-diamine
CID 59825307
N-[2-(2-aminoethylamino)ethyl]-2-chloro-N-(2-chloroacetyl)acetamide
CID 162767897
N'-[2-[2-(dimethylamino)ethylamino]ethyl]-N'-methylethane-1,2-diamine
CID 134394080
N',N'-bis[2-(2-aminoethylamino)ethyl]pentane-1,5-diamine
CID 162227177

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-[2-(2-aminoethylamino)ethyl]nitrous amide?
The IUPAC name of N-(2-aminoethyl)-N-[2-(2-aminoethylamino)ethyl]nitrous amide (CID 87376084) is N-(2-aminoethyl)-N-[2-(2-aminoethylamino)ethyl]nitrous amide.
What is the SMILES notation for N-(2-aminoethyl)-N-[2-(2-aminoethylamino)ethyl]nitrous amide?
The canonical SMILES for N-(2-aminoethyl)-N-[2-(2-aminoethylamino)ethyl]nitrous amide is NCCNCCN(CCN)N=O.
What is the InChIKey of N-(2-aminoethyl)-N-[2-(2-aminoethylamino)ethyl]nitrous amide?
The InChIKey is AJGXTBJITHWOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H17N5O/c7-1-3-9-4-6-11(10-12)5-2-8/h9H,1-8H2.
What are the key properties of N-(2-aminoethyl)-N-[2-(2-aminoethylamino)ethyl]nitrous amide?
N-(2-aminoethyl)-N-[2-(2-aminoethylamino)ethyl]nitrous amide has a molecular weight of 175.24 g/mol, XLogP of -1.52, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-[2-(2-aminoethylamino)ethyl]nitrous amide is sourced from PubChem (CID 87376084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).