2-[[(3-fluoropropylamino)-(propylamino)methylidene]amino]-N,N-dimethylacetamide

C11H23FN4O — CID 110036825

IUPAC2-[[(3-fluoropropylamino)-(propylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCCCN/C(=N\CC(=O)N(C)C)NCCCF
InChIInChI=1S/C11H23FN4O/c1-4-7-13-11(14-8-5-6-12)15-9-10(17)16(2)3/h4-9H2,1-3H3,(H2,13,14,15)
InChIKeyNISVIAMWZNDTTF-UHFFFAOYSA-N
MW246.33 g/mol
LogP0.38
Rot. Bonds7

About 2-[[(3-fluoropropylamino)-(propylamino)methylidene]amino]-N,N-dimethylacetamide

2-[[(3-fluoropropylamino)-(propylamino)methylidene]amino]-N,N-dimethylacetamide (PubChem CID 110036825) has the molecular formula C11H23FN4O and a molecular weight of 246.33 g/mol. Its IUPAC name is 2-[[(3-fluoropropylamino)-(propylamino)methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[(3-fluoropropylamino)-(propylamino)methylidene]amino]-N,N-dimethylacetamide
PubChem CID110036825
Molecular FormulaC11H23FN4O
Molecular Weight246.33 g/mol
Exact Mass246.19
IUPAC Name2-[[(3-fluoropropylamino)-(propylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCCCN/C(=N\CC(=O)N(C)C)NCCCF
InChIInChI=1S/C11H23FN4O/c1-4-7-13-11(14-8-5-6-12)15-9-10(17)16(2)3/h4-9H2,1-3H3,(H2,13,14,15)
InChIKeyNISVIAMWZNDTTF-UHFFFAOYSA-N
XLogP0.38
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 2-[[(3-fluoropropylamino)-(propylamino)methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[(3-fluoropropylamino)-(propylamino)methylidene]amino]-N,N-dimethylacetamide (CID 110036825) is 2-[[(3-fluoropropylamino)-(propylamino)methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[(3-fluoropropylamino)-(propylamino)methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[(3-fluoropropylamino)-(propylamino)methylidene]amino]-N,N-dimethylacetamide is CCCN/C(=N\CC(=O)N(C)C)NCCCF.
What is the InChIKey of 2-[[(3-fluoropropylamino)-(propylamino)methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is NISVIAMWZNDTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23FN4O/c1-4-7-13-11(14-8-5-6-12)15-9-10(17)16(2)3/h4-9H2,1-3H3,(H2,13,14,15).
What are the key properties of 2-[[(3-fluoropropylamino)-(propylamino)methylidene]amino]-N,N-dimethylacetamide?
2-[[(3-fluoropropylamino)-(propylamino)methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 246.33 g/mol, XLogP of 0.38, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-fluoropropylamino)-(propylamino)methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 110036825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).