N,N-dimethyl-2-[[(oxan-2-ylmethylamino)-(5,5,5-trifluoropentylamino)methylidene]amino]acetamide

C16H29F3N4O2 — CID 110035999

IUPACN,N-dimethyl-2-[[(oxan-2-ylmethylamino)-(5,5,5-trifluoropentylamino)methylidene]amino]acetamide
SMILESCN(C)C(=O)C/N=C(\NCCCCC(F)(F)F)NCC1CCCCO1
InChIInChI=1S/C16H29F3N4O2/c1-23(2)14(24)12-22-15(20-9-5-4-8-16(17,18)19)21-11-13-7-3-6-10-25-13/h13H,3-12H2,1-2H3,(H2,20,21,22)
InChIKeyXCKGYVNCMROQRP-UHFFFAOYSA-N
MW366.43 g/mol
LogP1.91
Rot. Bonds8

About N,N-dimethyl-2-[[(oxan-2-ylmethylamino)-(5,5,5-trifluoropentylamino)methylidene]amino]acetamide

N,N-dimethyl-2-[[(oxan-2-ylmethylamino)-(5,5,5-trifluoropentylamino)methylidene]amino]acetamide (PubChem CID 110035999) has the molecular formula C16H29F3N4O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is N,N-dimethyl-2-[[(oxan-2-ylmethylamino)-(5,5,5-trifluoropentylamino)methylidene]amino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[(oxan-2-ylmethylamino)-(5,5,5-trifluoropentylamino)methylidene]amino]acetamide
PubChem CID110035999
Molecular FormulaC16H29F3N4O2
Molecular Weight366.43 g/mol
Exact Mass366.22
IUPAC NameN,N-dimethyl-2-[[(oxan-2-ylmethylamino)-(5,5,5-trifluoropentylamino)methylidene]amino]acetamide
SMILESCN(C)C(=O)C/N=C(\NCCCCC(F)(F)F)NCC1CCCCO1
InChIInChI=1S/C16H29F3N4O2/c1-23(2)14(24)12-22-15(20-9-5-4-8-16(17,18)19)21-11-13-7-3-6-10-25-13/h13H,3-12H2,1-2H3,(H2,20,21,22)
InChIKeyXCKGYVNCMROQRP-UHFFFAOYSA-N
XLogP1.91
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 51.91
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-[[(oxolan-2-ylmethylamino)-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]acetamide;hydroiodide
CID 109376476
N,N-dimethyl-2-[[(oxolan-2-ylmethylamino)-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]methylidene]amino]acetamide
CID 109376477
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
2-[[ethylamino-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 109448057
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;hydroiodide
CID 110033930
N,N-dimethyl-2-[[(oxan-2-ylmethylamino)-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethylamino]methylidene]amino]acetamide
CID 110033931
2-[[(3-fluoropropylamino)-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110035901
N,N-dimethyl-2-[[(oxan-2-ylmethylamino)-(5,5,5-trifluoropentylamino)methylidene]amino]acetamide;hydroiodide
CID 110035998
2-[[(3-fluoropropylamino)-(oxolan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110036355

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[(oxan-2-ylmethylamino)-(5,5,5-trifluoropentylamino)methylidene]amino]acetamide?
The IUPAC name of N,N-dimethyl-2-[[(oxan-2-ylmethylamino)-(5,5,5-trifluoropentylamino)methylidene]amino]acetamide (CID 110035999) is N,N-dimethyl-2-[[(oxan-2-ylmethylamino)-(5,5,5-trifluoropentylamino)methylidene]amino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[(oxan-2-ylmethylamino)-(5,5,5-trifluoropentylamino)methylidene]amino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[(oxan-2-ylmethylamino)-(5,5,5-trifluoropentylamino)methylidene]amino]acetamide is CN(C)C(=O)C/N=C(\NCCCCC(F)(F)F)NCC1CCCCO1.
What is the InChIKey of N,N-dimethyl-2-[[(oxan-2-ylmethylamino)-(5,5,5-trifluoropentylamino)methylidene]amino]acetamide?
The InChIKey is XCKGYVNCMROQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29F3N4O2/c1-23(2)14(24)12-22-15(20-9-5-4-8-16(17,18)19)21-11-13-7-3-6-10-25-13/h13H,3-12H2,1-2H3,(H2,20,21,22).
What are the key properties of N,N-dimethyl-2-[[(oxan-2-ylmethylamino)-(5,5,5-trifluoropentylamino)methylidene]amino]acetamide?
N,N-dimethyl-2-[[(oxan-2-ylmethylamino)-(5,5,5-trifluoropentylamino)methylidene]amino]acetamide has a molecular weight of 366.43 g/mol, XLogP of 1.91, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[(oxan-2-ylmethylamino)-(5,5,5-trifluoropentylamino)methylidene]amino]acetamide is sourced from PubChem (CID 110035999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).