N-[2-(2-aminoethylamino)ethyl]carbamoyl fluoride

C5H12FN3O — CID 163798377

IUPACN-[2-(2-aminoethylamino)ethyl]carbamoyl fluoride
SMILESNCCNCCNC(=O)F
InChIInChI=1S/C5H12FN3O/c6-5(10)9-4-3-8-2-1-7/h8H,1-4,7H2,(H,9,10)
InChIKeyNCURIXNSJRAPCJ-UHFFFAOYSA-N
MW149.17 g/mol
LogP-0.79
Rot. Bonds5

About N-[2-(2-aminoethylamino)ethyl]carbamoyl fluoride

N-[2-(2-aminoethylamino)ethyl]carbamoyl fluoride (PubChem CID 163798377) has the molecular formula C5H12FN3O and a molecular weight of 149.17 g/mol. Its IUPAC name is N-[2-(2-aminoethylamino)ethyl]carbamoyl fluoride.

Molecular Properties

Compound NameN-[2-(2-aminoethylamino)ethyl]carbamoyl fluoride
PubChem CID163798377
Molecular FormulaC5H12FN3O
Molecular Weight149.17 g/mol
Exact Mass149.10
IUPAC NameN-[2-(2-aminoethylamino)ethyl]carbamoyl fluoride
SMILESNCCNCCNC(=O)F
InChIInChI=1S/C5H12FN3O/c6-5(10)9-4-3-8-2-1-7/h8H,1-4,7H2,(H,9,10)
InChIKeyNCURIXNSJRAPCJ-UHFFFAOYSA-N
XLogP-0.79
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.17
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethylamino)ethyl]carbamoyl fluoride?
The IUPAC name of N-[2-(2-aminoethylamino)ethyl]carbamoyl fluoride (CID 163798377) is N-[2-(2-aminoethylamino)ethyl]carbamoyl fluoride.
What is the SMILES notation for N-[2-(2-aminoethylamino)ethyl]carbamoyl fluoride?
The canonical SMILES for N-[2-(2-aminoethylamino)ethyl]carbamoyl fluoride is NCCNCCNC(=O)F.
What is the InChIKey of N-[2-(2-aminoethylamino)ethyl]carbamoyl fluoride?
The InChIKey is NCURIXNSJRAPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12FN3O/c6-5(10)9-4-3-8-2-1-7/h8H,1-4,7H2,(H,9,10).
What are the key properties of N-[2-(2-aminoethylamino)ethyl]carbamoyl fluoride?
N-[2-(2-aminoethylamino)ethyl]carbamoyl fluoride has a molecular weight of 149.17 g/mol, XLogP of -0.79, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethylamino)ethyl]carbamoyl fluoride is sourced from PubChem (CID 163798377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).