2-(diaminomethylideneamino)-N-(2-fluoroethyl)acetamide

C5H11FN4O — CID 131206782

IUPAC2-(diaminomethylideneamino)-N-(2-fluoroethyl)acetamide
SMILESNC(N)=NCC(=O)NCCF
InChIInChI=1S/C5H11FN4O/c6-1-2-9-4(11)3-10-5(7)8/h1-3H2,(H,9,11)(H4,7,8,10)
InChIKeyCRGOTQNQJPOXEK-UHFFFAOYSA-N
MW162.17 g/mol
LogP-1.65
Rot. Bonds4

About 2-(diaminomethylideneamino)-N-(2-fluoroethyl)acetamide

2-(diaminomethylideneamino)-N-(2-fluoroethyl)acetamide (PubChem CID 131206782) has the molecular formula C5H11FN4O and a molecular weight of 162.17 g/mol. Its IUPAC name is 2-(diaminomethylideneamino)-N-(2-fluoroethyl)acetamide.

Molecular Properties

Compound Name2-(diaminomethylideneamino)-N-(2-fluoroethyl)acetamide
PubChem CID131206782
Molecular FormulaC5H11FN4O
Molecular Weight162.17 g/mol
Exact Mass162.09
IUPAC Name2-(diaminomethylideneamino)-N-(2-fluoroethyl)acetamide
SMILESNC(N)=NCC(=O)NCCF
InChIInChI=1S/C5H11FN4O/c6-1-2-9-4(11)3-10-5(7)8/h1-3H2,(H,9,11)(H4,7,8,10)
InChIKeyCRGOTQNQJPOXEK-UHFFFAOYSA-N
XLogP-1.65
TPSA93.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.17
LogP ≤ 5-1.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(2-fluoroethyl)acetamide
CID 87281160
2-(1-aminoethylideneamino)-N-(2-fluoroethyl)acetamide
CID 131223001
2-[[2-Amino-2-(diaminomethylideneamino)acetyl]amino]ethylazanide;2,2,2-trifluoroacetate
CID 158737545
N-[2-(diaminomethylideneamino)ethyl]acetamide
CID 12715885
2-(diaminomethylideneamino)-N-methylacetamide
CID 57804361
2-(diaminomethylideneamino)-N-propan-2-ylacetamide
CID 60047902
2-(diaminomethylideneamino)-N-ethylacetamide
CID 60723754
2-[(aminomethylideneamino)methylideneamino]-N-methylacetamide
CID 90245690
Diaminomethylidene-[2-(methylamino)-2-oxoethyl]azanium
CID 145315281
2-amino-N-ethyl-2-methyliminoacetamide
CID 155120514
2-(diaminomethylideneamino)-N-[2-(diaminomethylideneamino)ethyl]acetamide
CID 156106468
2-amino-N-[2-(diaminomethylideneamino)ethyl]acetamide
CID 156106490

Frequently Asked Questions

What is the IUPAC name of 2-(diaminomethylideneamino)-N-(2-fluoroethyl)acetamide?
The IUPAC name of 2-(diaminomethylideneamino)-N-(2-fluoroethyl)acetamide (CID 131206782) is 2-(diaminomethylideneamino)-N-(2-fluoroethyl)acetamide.
What is the SMILES notation for 2-(diaminomethylideneamino)-N-(2-fluoroethyl)acetamide?
The canonical SMILES for 2-(diaminomethylideneamino)-N-(2-fluoroethyl)acetamide is NC(N)=NCC(=O)NCCF.
What is the InChIKey of 2-(diaminomethylideneamino)-N-(2-fluoroethyl)acetamide?
The InChIKey is CRGOTQNQJPOXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11FN4O/c6-1-2-9-4(11)3-10-5(7)8/h1-3H2,(H,9,11)(H4,7,8,10).
What are the key properties of 2-(diaminomethylideneamino)-N-(2-fluoroethyl)acetamide?
2-(diaminomethylideneamino)-N-(2-fluoroethyl)acetamide has a molecular weight of 162.17 g/mol, XLogP of -1.65, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diaminomethylideneamino)-N-(2-fluoroethyl)acetamide is sourced from PubChem (CID 131206782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).