N-(1-aminopropylidene)-2-fluoro-2-methylpropanamide

C7H13FN2O — CID 142867627

IUPACN-(1-aminopropylidene)-2-fluoro-2-methylpropanamide
SMILESCC/C(N)=N\C(=O)C(C)(C)F
InChIInChI=1S/C7H13FN2O/c1-4-5(9)10-6(11)7(2,3)8/h4H2,1-3H3,(H2,9,10,11)
InChIKeyOGEDPBRODNPKEY-UHFFFAOYSA-N
MW160.19 g/mol
LogP1.03
Rot. Bonds2

About N-(1-aminopropylidene)-2-fluoro-2-methylpropanamide

N-(1-aminopropylidene)-2-fluoro-2-methylpropanamide (PubChem CID 142867627) has the molecular formula C7H13FN2O and a molecular weight of 160.19 g/mol. Its IUPAC name is N-(1-aminopropylidene)-2-fluoro-2-methylpropanamide.

Molecular Properties

Compound NameN-(1-aminopropylidene)-2-fluoro-2-methylpropanamide
PubChem CID142867627
Molecular FormulaC7H13FN2O
Molecular Weight160.19 g/mol
Exact Mass160.10
IUPAC NameN-(1-aminopropylidene)-2-fluoro-2-methylpropanamide
SMILESCC/C(N)=N\C(=O)C(C)(C)F
InChIInChI=1S/C7H13FN2O/c1-4-5(9)10-6(11)7(2,3)8/h4H2,1-3H3,(H2,9,10,11)
InChIKeyOGEDPBRODNPKEY-UHFFFAOYSA-N
XLogP1.03
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.19
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropylidene)-2-fluoro-2-methylpropanamide?
The IUPAC name of N-(1-aminopropylidene)-2-fluoro-2-methylpropanamide (CID 142867627) is N-(1-aminopropylidene)-2-fluoro-2-methylpropanamide.
What is the SMILES notation for N-(1-aminopropylidene)-2-fluoro-2-methylpropanamide?
The canonical SMILES for N-(1-aminopropylidene)-2-fluoro-2-methylpropanamide is CC/C(N)=N\C(=O)C(C)(C)F.
What is the InChIKey of N-(1-aminopropylidene)-2-fluoro-2-methylpropanamide?
The InChIKey is OGEDPBRODNPKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FN2O/c1-4-5(9)10-6(11)7(2,3)8/h4H2,1-3H3,(H2,9,10,11).
What are the key properties of N-(1-aminopropylidene)-2-fluoro-2-methylpropanamide?
N-(1-aminopropylidene)-2-fluoro-2-methylpropanamide has a molecular weight of 160.19 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropylidene)-2-fluoro-2-methylpropanamide is sourced from PubChem (CID 142867627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).