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

C14H27FN4O2 — CID 110035901

IUPAC2-[[(3-fluoropropylamino)-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)C/N=C(\NCCCF)NCC1CCCCO1
InChIInChI=1S/C14H27FN4O2/c1-19(2)13(20)11-18-14(16-8-5-7-15)17-10-12-6-3-4-9-21-12/h12H,3-11H2,1-2H3,(H2,16,17,18)
InChIKeyXWXJSNNDFFKPCX-UHFFFAOYSA-N
MW302.39 g/mol
LogP0.54
Rot. Bonds7

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

2-[[(3-fluoropropylamino)-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide (PubChem CID 110035901) has the molecular formula C14H27FN4O2 and a molecular weight of 302.39 g/mol. Its IUPAC name is 2-[[(3-fluoropropylamino)-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[(3-fluoropropylamino)-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
PubChem CID110035901
Molecular FormulaC14H27FN4O2
Molecular Weight302.39 g/mol
Exact Mass302.21
IUPAC Name2-[[(3-fluoropropylamino)-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)C/N=C(\NCCCF)NCC1CCCCO1
InChIInChI=1S/C14H27FN4O2/c1-19(2)13(20)11-18-14(16-8-5-7-15)17-10-12-6-3-4-9-21-12/h12H,3-11H2,1-2H3,(H2,16,17,18)
InChIKeyXWXJSNNDFFKPCX-UHFFFAOYSA-N
XLogP0.54
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.39
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Related Compounds

N,N-dimethyl-2-[[(oxan-2-ylmethylamino)-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]acetamide;hydroiodide
CID 109376960
N,N-dimethyl-2-[[(oxan-2-ylmethylamino)-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]acetamide
CID 109376961
N,N-dimethyl-2-[[(oxan-2-ylmethylamino)-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]methylidene]amino]acetamide;hydroiodide
CID 110033892
N,N-dimethyl-2-[[(oxan-2-ylmethylamino)-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]methylidene]amino]acetamide
CID 110033893
N,N-dimethyl-2-[[(oxan-2-ylmethylamino)-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethylamino]methylidene]amino]acetamide
CID 110033931
N,N-dimethyl-2-[[(oxan-2-ylmethylamino)-(5,5,5-trifluoropentylamino)methylidene]amino]acetamide;hydroiodide
CID 110035998
N,N-dimethyl-2-[[(oxan-2-ylmethylamino)-(5,5,5-trifluoropentylamino)methylidene]amino]acetamide
CID 110035999
2-[[(3-fluoropropylamino)-(oxolan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110036355
2-[[[3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110042346
N,N-dimethyl-2-[[(oxolan-2-ylmethylamino)-(5,5,5-trifluoropentylamino)methylidene]amino]acetamide;hydroiodide
CID 112431591
N,N-dimethyl-2-[[(oxolan-2-ylmethylamino)-(5,5,5-trifluoropentylamino)methylidene]amino]acetamide
CID 112431592
N,N-dimethyl-2-[[(2-morpholin-4-ylethylamino)-(5,5,5-trifluoropentylamino)methylidene]amino]acetamide
CID 112433269

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-fluoropropylamino)-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[(3-fluoropropylamino)-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide (CID 110035901) is 2-[[(3-fluoropropylamino)-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[(3-fluoropropylamino)-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[(3-fluoropropylamino)-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide is CN(C)C(=O)C/N=C(\NCCCF)NCC1CCCCO1.
What is the InChIKey of 2-[[(3-fluoropropylamino)-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is XWXJSNNDFFKPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27FN4O2/c1-19(2)13(20)11-18-14(16-8-5-7-15)17-10-12-6-3-4-9-21-12/h12H,3-11H2,1-2H3,(H2,16,17,18).
What are the key properties of 2-[[(3-fluoropropylamino)-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide?
2-[[(3-fluoropropylamino)-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 302.39 g/mol, XLogP of 0.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-fluoropropylamino)-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 110035901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).