N'-methyl-N-(methylideneamino)-N-propan-2-ylcarbamimidoyl fluoride

C6H12FN3 — CID 172627794

IUPACN'-methyl-N-(methylideneamino)-N-propan-2-ylcarbamimidoyl fluoride
SMILESC=NN(/C(F)=N/C)C(C)C
InChIInChI=1S/C6H12FN3/c1-5(2)10(9-4)6(7)8-3/h5H,4H2,1-3H3/b8-6+
InChIKeyMCJWSJWMHUJHFL-SOFGYWHQSA-N
MW145.18 g/mol
LogP1.27
Rot. Bonds2

About N'-methyl-N-(methylideneamino)-N-propan-2-ylcarbamimidoyl fluoride

N'-methyl-N-(methylideneamino)-N-propan-2-ylcarbamimidoyl fluoride (PubChem CID 172627794) has the molecular formula C6H12FN3 and a molecular weight of 145.18 g/mol. Its IUPAC name is N'-methyl-N-(methylideneamino)-N-propan-2-ylcarbamimidoyl fluoride.

Molecular Properties

Compound NameN'-methyl-N-(methylideneamino)-N-propan-2-ylcarbamimidoyl fluoride
PubChem CID172627794
Molecular FormulaC6H12FN3
Molecular Weight145.18 g/mol
Exact Mass145.10
IUPAC NameN'-methyl-N-(methylideneamino)-N-propan-2-ylcarbamimidoyl fluoride
SMILESC=NN(/C(F)=N/C)C(C)C
InChIInChI=1S/C6H12FN3/c1-5(2)10(9-4)6(7)8-3/h5H,4H2,1-3H3/b8-6+
InChIKeyMCJWSJWMHUJHFL-SOFGYWHQSA-N
XLogP1.27
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.18
LogP ≤ 51.27
H-Bond Donors ≤ 50
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'-methyl-N-(methylideneamino)-N-propan-2-ylcarbamimidoyl fluoride?
The IUPAC name of N'-methyl-N-(methylideneamino)-N-propan-2-ylcarbamimidoyl fluoride (CID 172627794) is N'-methyl-N-(methylideneamino)-N-propan-2-ylcarbamimidoyl fluoride.
What is the SMILES notation for N'-methyl-N-(methylideneamino)-N-propan-2-ylcarbamimidoyl fluoride?
The canonical SMILES for N'-methyl-N-(methylideneamino)-N-propan-2-ylcarbamimidoyl fluoride is C=NN(/C(F)=N/C)C(C)C.
What is the InChIKey of N'-methyl-N-(methylideneamino)-N-propan-2-ylcarbamimidoyl fluoride?
The InChIKey is MCJWSJWMHUJHFL-SOFGYWHQSA-N. The full InChI is InChI=1S/C6H12FN3/c1-5(2)10(9-4)6(7)8-3/h5H,4H2,1-3H3/b8-6+.
What are the key properties of N'-methyl-N-(methylideneamino)-N-propan-2-ylcarbamimidoyl fluoride?
N'-methyl-N-(methylideneamino)-N-propan-2-ylcarbamimidoyl fluoride has a molecular weight of 145.18 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(methylideneamino)-N-propan-2-ylcarbamimidoyl fluoride is sourced from PubChem (CID 172627794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).