N,N-dimethyl-2-[[(oxan-2-ylmethylamino)-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]methylidene]amino]acetamide

C17H30F3N5O2 — CID 110033893

IUPACN,N-dimethyl-2-[[(oxan-2-ylmethylamino)-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]methylidene]amino]acetamide
SMILESCN(C)C(=O)C/N=C(\NCC1CCCCO1)NC1CCN(CC(F)(F)F)C1
InChIInChI=1S/C17H30F3N5O2/c1-24(2)15(26)10-22-16(21-9-14-5-3-4-8-27-14)23-13-6-7-25(11-13)12-17(18,19)20/h13-14H,3-12H2,1-2H3,(H2,21,22,23)
InChIKeyIFMMDDRXAOWVHC-UHFFFAOYSA-N
MW393.45 g/mol
LogP0.82
Rot. Bonds6

About N,N-dimethyl-2-[[(oxan-2-ylmethylamino)-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]methylidene]amino]acetamide

N,N-dimethyl-2-[[(oxan-2-ylmethylamino)-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]methylidene]amino]acetamide (PubChem CID 110033893) has the molecular formula C17H30F3N5O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is N,N-dimethyl-2-[[(oxan-2-ylmethylamino)-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]methylidene]amino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[(oxan-2-ylmethylamino)-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]methylidene]amino]acetamide
PubChem CID110033893
Molecular FormulaC17H30F3N5O2
Molecular Weight393.45 g/mol
Exact Mass393.24
IUPAC NameN,N-dimethyl-2-[[(oxan-2-ylmethylamino)-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]methylidene]amino]acetamide
SMILESCN(C)C(=O)C/N=C(\NCC1CCCCO1)NC1CCN(CC(F)(F)F)C1
InChIInChI=1S/C17H30F3N5O2/c1-24(2)15(26)10-22-16(21-9-14-5-3-4-8-27-14)23-13-6-7-25(11-13)12-17(18,19)20/h13-14H,3-12H2,1-2H3,(H2,21,22,23)
InChIKeyIFMMDDRXAOWVHC-UHFFFAOYSA-N
XLogP0.82
TPSA69.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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
N,N-dimethyl-2-[[(oxan-2-ylmethylamino)-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]methylidene]amino]acetamide;hydroiodide
CID 110033892
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
N,N-dimethyl-2-[[(oxan-2-ylmethylamino)-(5,5,5-trifluoropentylamino)methylidene]amino]acetamide
CID 110035999
2-[[[3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110042345
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-[[(3-morpholin-4-ylpropylamino)-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]methylidene]amino]acetamide;hydroiodide
CID 111365572
N,N-dimethyl-2-[[(3-morpholin-4-ylpropylamino)-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]methylidene]amino]acetamide
CID 111365573

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[(oxan-2-ylmethylamino)-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]methylidene]amino]acetamide?
The IUPAC name of N,N-dimethyl-2-[[(oxan-2-ylmethylamino)-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]methylidene]amino]acetamide (CID 110033893) is N,N-dimethyl-2-[[(oxan-2-ylmethylamino)-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]methylidene]amino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[(oxan-2-ylmethylamino)-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]methylidene]amino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[(oxan-2-ylmethylamino)-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]methylidene]amino]acetamide is CN(C)C(=O)C/N=C(\NCC1CCCCO1)NC1CCN(CC(F)(F)F)C1.
What is the InChIKey of N,N-dimethyl-2-[[(oxan-2-ylmethylamino)-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]methylidene]amino]acetamide?
The InChIKey is IFMMDDRXAOWVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30F3N5O2/c1-24(2)15(26)10-22-16(21-9-14-5-3-4-8-27-14)23-13-6-7-25(11-13)12-17(18,19)20/h13-14H,3-12H2,1-2H3,(H2,21,22,23).
What are the key properties of N,N-dimethyl-2-[[(oxan-2-ylmethylamino)-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]methylidene]amino]acetamide?
N,N-dimethyl-2-[[(oxan-2-ylmethylamino)-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]methylidene]amino]acetamide has a molecular weight of 393.45 g/mol, XLogP of 0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[(oxan-2-ylmethylamino)-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]methylidene]amino]acetamide is sourced from PubChem (CID 110033893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).