N-(2-fluoroethyl)-N'-(2-methylpropyl)ethane-1,2-diamine

C8H19FN2 — CID 168883325

IUPACN-(2-fluoroethyl)-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CNCCNCCF
InChIInChI=1S/C8H19FN2/c1-8(2)7-11-6-5-10-4-3-9/h8,10-11H,3-7H2,1-2H3
InChIKeyXAOREBYSVDZLPA-UHFFFAOYSA-N
MW162.25 g/mol
LogP0.79
Rot. Bonds7

About N-(2-fluoroethyl)-N'-(2-methylpropyl)ethane-1,2-diamine

N-(2-fluoroethyl)-N'-(2-methylpropyl)ethane-1,2-diamine (PubChem CID 168883325) has the molecular formula C8H19FN2 and a molecular weight of 162.25 g/mol. Its IUPAC name is N-(2-fluoroethyl)-N'-(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-fluoroethyl)-N'-(2-methylpropyl)ethane-1,2-diamine
PubChem CID168883325
Molecular FormulaC8H19FN2
Molecular Weight162.25 g/mol
Exact Mass162.15
IUPAC NameN-(2-fluoroethyl)-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CNCCNCCF
InChIInChI=1S/C8H19FN2/c1-8(2)7-11-6-5-10-4-3-9/h8,10-11H,3-7H2,1-2H3
InChIKeyXAOREBYSVDZLPA-UHFFFAOYSA-N
XLogP0.79
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.25
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-N'-(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of N-(2-fluoroethyl)-N'-(2-methylpropyl)ethane-1,2-diamine (CID 168883325) is N-(2-fluoroethyl)-N'-(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N-(2-fluoroethyl)-N'-(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for N-(2-fluoroethyl)-N'-(2-methylpropyl)ethane-1,2-diamine is CC(C)CNCCNCCF.
What is the InChIKey of N-(2-fluoroethyl)-N'-(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is XAOREBYSVDZLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19FN2/c1-8(2)7-11-6-5-10-4-3-9/h8,10-11H,3-7H2,1-2H3.
What are the key properties of N-(2-fluoroethyl)-N'-(2-methylpropyl)ethane-1,2-diamine?
N-(2-fluoroethyl)-N'-(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 162.25 g/mol, XLogP of 0.79, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-N'-(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 168883325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).