N-[1-(dimethylamino)ethylidene]-2,2,2-trifluoroethanimidamide

C6H10F3N3 — CID 154723464

IUPACN-[1-(dimethylamino)ethylidene]-2,2,2-trifluoroethanimidamide
SMILES[H]/N=C(\N=C(/C)N(C)C)C(F)(F)F
InChIInChI=1S/C6H10F3N3/c1-4(12(2)3)11-5(10)6(7,8)9/h10H,1-3H3/b10-5-,11-4+
InChIKeyIILVVUSTAYRFBG-AOXYUYCMSA-N
MW181.16 g/mol
LogP1.51
Rot. Bonds

About N-[1-(dimethylamino)ethylidene]-2,2,2-trifluoroethanimidamide

N-[1-(dimethylamino)ethylidene]-2,2,2-trifluoroethanimidamide (PubChem CID 154723464) has the molecular formula C6H10F3N3 and a molecular weight of 181.16 g/mol. Its IUPAC name is N-[1-(dimethylamino)ethylidene]-2,2,2-trifluoroethanimidamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)ethylidene]-2,2,2-trifluoroethanimidamide
PubChem CID154723464
Molecular FormulaC6H10F3N3
Molecular Weight181.16 g/mol
Exact Mass181.08
IUPAC NameN-[1-(dimethylamino)ethylidene]-2,2,2-trifluoroethanimidamide
SMILES[H]/N=C(\N=C(/C)N(C)C)C(F)(F)F
InChIInChI=1S/C6H10F3N3/c1-4(12(2)3)11-5(10)6(7,8)9/h10H,1-3H3/b10-5-,11-4+
InChIKeyIILVVUSTAYRFBG-AOXYUYCMSA-N
XLogP1.51
TPSA39.45 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.16
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-[1-(dimethylamino)ethylidene]ethanimidamide
CID 88533812
N-[1-(dimethylamino)-2,2-dimethylpropylidene]-2,2-dimethylpropanimidamide
CID 167052160
ethanimidoyl 2,2,2-trifluoro-N-methylethanimidothioate
CID 162548151
(Z)-5,5,5-trifluoro-4-iminopent-2-en-2-amine
CID 138509620
2-hydroxy-2-methyl-N-methylidenepropanimidamide
CID 165398140
(E)-2-acetyl-N,N-dimethylbut-2-enimidamide
CID 91362771
N'-hydroxy-N,N-dimethylethanimidamide
CID 6308604
N'-[N-amino-N-[2-(dimethylamino)ethyl]carbamimidoyl]-2,2,2-trifluoroethanimidamide
CID 144894450
N-[(Z)-(4,4,4-trifluoro-3-iminobutan-2-ylidene)amino]methanamine
CID 59444700
acetic acid;3-(diaminomethylidene)-1,1-dimethylguanidine
CID 24961549
2-carbamimidoyl-1-methyl-1-(3,3,3-trifluoropropyl)guanidine
CID 176546898
4,4,4-trifluoro-3,3-dimethylbutan-2-imine
CID 90693772

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)ethylidene]-2,2,2-trifluoroethanimidamide?
The IUPAC name of N-[1-(dimethylamino)ethylidene]-2,2,2-trifluoroethanimidamide (CID 154723464) is N-[1-(dimethylamino)ethylidene]-2,2,2-trifluoroethanimidamide.
What is the SMILES notation for N-[1-(dimethylamino)ethylidene]-2,2,2-trifluoroethanimidamide?
The canonical SMILES for N-[1-(dimethylamino)ethylidene]-2,2,2-trifluoroethanimidamide is [H]/N=C(\N=C(/C)N(C)C)C(F)(F)F.
What is the InChIKey of N-[1-(dimethylamino)ethylidene]-2,2,2-trifluoroethanimidamide?
The InChIKey is IILVVUSTAYRFBG-AOXYUYCMSA-N. The full InChI is InChI=1S/C6H10F3N3/c1-4(12(2)3)11-5(10)6(7,8)9/h10H,1-3H3/b10-5-,11-4+.
What are the key properties of N-[1-(dimethylamino)ethylidene]-2,2,2-trifluoroethanimidamide?
N-[1-(dimethylamino)ethylidene]-2,2,2-trifluoroethanimidamide has a molecular weight of 181.16 g/mol, XLogP of 1.51, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)ethylidene]-2,2,2-trifluoroethanimidamide is sourced from PubChem (CID 154723464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).