N-ethyl-N-(methylamino)carbamimidoyl fluoride

C4H10FN3 — CID 170771742

IUPACN-ethyl-N-(methylamino)carbamimidoyl fluoride
SMILES[H]/N=C(\F)N(CC)NC
InChIInChI=1S/C4H10FN3/c1-3-8(7-2)4(5)6/h6-7H,3H2,1-2H3/b6-4+
InChIKeySIBIXQDRHLXQEQ-GQCTYLIASA-N
MW119.14 g/mol
LogP0.35
Rot. Bonds2

About N-ethyl-N-(methylamino)carbamimidoyl fluoride

N-ethyl-N-(methylamino)carbamimidoyl fluoride (PubChem CID 170771742) has the molecular formula C4H10FN3 and a molecular weight of 119.14 g/mol. Its IUPAC name is N-ethyl-N-(methylamino)carbamimidoyl fluoride.

Molecular Properties

Compound NameN-ethyl-N-(methylamino)carbamimidoyl fluoride
PubChem CID170771742
Molecular FormulaC4H10FN3
Molecular Weight119.14 g/mol
Exact Mass119.09
IUPAC NameN-ethyl-N-(methylamino)carbamimidoyl fluoride
SMILES[H]/N=C(\F)N(CC)NC
InChIInChI=1S/C4H10FN3/c1-3-8(7-2)4(5)6/h6-7H,3H2,1-2H3/b6-4+
InChIKeySIBIXQDRHLXQEQ-GQCTYLIASA-N
XLogP0.35
TPSA39.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.14
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(methylamino)carbamimidoyl fluoride?
The IUPAC name of N-ethyl-N-(methylamino)carbamimidoyl fluoride (CID 170771742) is N-ethyl-N-(methylamino)carbamimidoyl fluoride.
What is the SMILES notation for N-ethyl-N-(methylamino)carbamimidoyl fluoride?
The canonical SMILES for N-ethyl-N-(methylamino)carbamimidoyl fluoride is [H]/N=C(\F)N(CC)NC.
What is the InChIKey of N-ethyl-N-(methylamino)carbamimidoyl fluoride?
The InChIKey is SIBIXQDRHLXQEQ-GQCTYLIASA-N. The full InChI is InChI=1S/C4H10FN3/c1-3-8(7-2)4(5)6/h6-7H,3H2,1-2H3/b6-4+.
What are the key properties of N-ethyl-N-(methylamino)carbamimidoyl fluoride?
N-ethyl-N-(methylamino)carbamimidoyl fluoride has a molecular weight of 119.14 g/mol, XLogP of 0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(methylamino)carbamimidoyl fluoride is sourced from PubChem (CID 170771742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).