N'-[2-[2-(fluoroamino)ethylamino]ethyl]ethane-1,2-diamine

C6H17FN4 — CID 87318857

IUPACN'-[2-[2-(fluoroamino)ethylamino]ethyl]ethane-1,2-diamine
SMILESNCCNCCNCCNF
InChIInChI=1S/C6H17FN4/c7-11-6-5-10-4-3-9-2-1-8/h9-11H,1-6,8H2
InChIKeyCSBPMHRMVDCICZ-UHFFFAOYSA-N
MW164.23 g/mol
LogP-1.40
Rot. Bonds8

About N'-[2-[2-(fluoroamino)ethylamino]ethyl]ethane-1,2-diamine

N'-[2-[2-(fluoroamino)ethylamino]ethyl]ethane-1,2-diamine (PubChem CID 87318857) has the molecular formula C6H17FN4 and a molecular weight of 164.23 g/mol. Its IUPAC name is N'-[2-[2-(fluoroamino)ethylamino]ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-[2-(fluoroamino)ethylamino]ethyl]ethane-1,2-diamine
PubChem CID87318857
Molecular FormulaC6H17FN4
Molecular Weight164.23 g/mol
Exact Mass164.14
IUPAC NameN'-[2-[2-(fluoroamino)ethylamino]ethyl]ethane-1,2-diamine
SMILESNCCNCCNCCNF
InChIInChI=1S/C6H17FN4/c7-11-6-5-10-4-3-9-2-1-8/h9-11H,1-6,8H2
InChIKeyCSBPMHRMVDCICZ-UHFFFAOYSA-N
XLogP-1.40
TPSA62.11 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 5-1.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

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)ethylamino]ethylamino]ethyl]ethane-1,2-diamine;pentahydrochloride
CID 10150970
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;ethene
CID 159799374
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;N'-[2-(3-aminopropylamino)ethyl]propane-1,3-diamine
CID 23206687
N'-(2-fluoroethyl)ethane-1,2-diamine
CID 80696987
N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine;antimony(5+);ethane-1,2-diamine;lanthanum(3+);tetrakis(selenium(2-))
CID 139165833
bis(N'-(2-aminoethyl)ethane-1,2-diamine);antimony(5+);dysprosium(3+);tetrasulfide
CID 139196463
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;1,2,3,4,5,6-hexachlorocyclohexane
CID 87854799
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;2-(2-hydroxyethylamino)ethanol
CID 19827531
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;2-hydroperoxy-2-methylpropane
CID 161199167
N'-(2-aminoethyl)-N-(3-aminopropyl)butane-1,4-diamine
CID 118361903

Frequently Asked Questions

What is the IUPAC name of N'-[2-[2-(fluoroamino)ethylamino]ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-[2-(fluoroamino)ethylamino]ethyl]ethane-1,2-diamine (CID 87318857) is N'-[2-[2-(fluoroamino)ethylamino]ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-[2-(fluoroamino)ethylamino]ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-[2-(fluoroamino)ethylamino]ethyl]ethane-1,2-diamine is NCCNCCNCCNF.
What is the InChIKey of N'-[2-[2-(fluoroamino)ethylamino]ethyl]ethane-1,2-diamine?
The InChIKey is CSBPMHRMVDCICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H17FN4/c7-11-6-5-10-4-3-9-2-1-8/h9-11H,1-6,8H2.
What are the key properties of N'-[2-[2-(fluoroamino)ethylamino]ethyl]ethane-1,2-diamine?
N'-[2-[2-(fluoroamino)ethylamino]ethyl]ethane-1,2-diamine has a molecular weight of 164.23 g/mol, XLogP of -1.40, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[2-(fluoroamino)ethylamino]ethyl]ethane-1,2-diamine is sourced from PubChem (CID 87318857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).