N-ethyl-2-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]acetamide

C10H19F3N4O — CID 109471873

IUPACN-ethyl-2-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]acetamide
SMILESCCNC(=O)C/N=C(\NCC)NCCC(F)(F)F
InChIInChI=1S/C10H19F3N4O/c1-3-14-8(18)7-17-9(15-4-2)16-6-5-10(11,12)13/h3-7H2,1-2H3,(H,14,18)(H2,15,16,17)
InChIKeySKXJNSIPOIXOJK-UHFFFAOYSA-N
MW268.28 g/mol
LogP0.63
Rot. Bonds6

About N-ethyl-2-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]acetamide

N-ethyl-2-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]acetamide (PubChem CID 109471873) has the molecular formula C10H19F3N4O and a molecular weight of 268.28 g/mol. Its IUPAC name is N-ethyl-2-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]acetamide
PubChem CID109471873
Molecular FormulaC10H19F3N4O
Molecular Weight268.28 g/mol
Exact Mass268.15
IUPAC NameN-ethyl-2-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]acetamide
SMILESCCNC(=O)C/N=C(\NCC)NCCC(F)(F)F
InChIInChI=1S/C10H19F3N4O/c1-3-14-8(18)7-17-9(15-4-2)16-6-5-10(11,12)13/h3-7H2,1-2H3,(H,14,18)(H2,15,16,17)
InChIKeySKXJNSIPOIXOJK-UHFFFAOYSA-N
XLogP0.63
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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

2-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]-N-phenylacetamide;hydroiodide
CID 109473614
2-[[butylamino(ethylamino)methylidene]amino]-N-ethylacetamide;hydroiodide
CID 111151737
2-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]-N-(3-ethynylphenyl)acetamide;hydroiodide
CID 109471396
tert-butyl N-[2-[[N-ethyl-N'-[2-(ethylamino)-2-oxoethyl]carbamimidoyl]amino]ethyl]carbamate;hydroiodide
CID 111884002
N-tert-butyl-2-[[ethylamino(propylamino)methylidene]amino]acetamide
CID 111226095
N-ethyl-2-(3,3,3-trifluoropropylamino)acetamide
CID 60695542
2-[[butylamino(ethylamino)methylidene]amino]-N-propylacetamide
CID 111152104
N-ethyl-2-[[ethylamino-(5-methylhexylamino)methylidene]amino]acetamide
CID 111579841
N-ethyl-2-[[ethylamino-(3-methoxypropylamino)methylidene]amino]acetamide;hydroiodide
CID 110975894
2-(3-ethoxypropyl)-1-ethyl-3-(3,3,3-trifluoropropyl)guanidine
CID 111778471
1-ethyl-2-(3-methoxypropyl)-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 111547876
1-ethyl-2-[2-(hydroxymethyl)-2-methylbutyl]-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109473768

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]acetamide?
The IUPAC name of N-ethyl-2-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]acetamide (CID 109471873) is N-ethyl-2-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]acetamide.
What is the SMILES notation for N-ethyl-2-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]acetamide?
The canonical SMILES for N-ethyl-2-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]acetamide is CCNC(=O)C/N=C(\NCC)NCCC(F)(F)F.
What is the InChIKey of N-ethyl-2-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]acetamide?
The InChIKey is SKXJNSIPOIXOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N4O/c1-3-14-8(18)7-17-9(15-4-2)16-6-5-10(11,12)13/h3-7H2,1-2H3,(H,14,18)(H2,15,16,17).
What are the key properties of N-ethyl-2-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]acetamide?
N-ethyl-2-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]acetamide has a molecular weight of 268.28 g/mol, XLogP of 0.63, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[ethylamino-(3,3,3-trifluoropropylamino)methylidene]amino]acetamide is sourced from PubChem (CID 109471873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).