2,2,2-trifluoro-N'-methyl-N-(4-methylhexan-2-yl)ethanimidamide

C10H19F3N2 — CID 123295140

IUPAC2,2,2-trifluoro-N'-methyl-N-(4-methylhexan-2-yl)ethanimidamide
SMILESCCC(C)CC(C)N/C(=N\C)C(F)(F)F
InChIInChI=1S/C10H19F3N2/c1-5-7(2)6-8(3)15-9(14-4)10(11,12)13/h7-8H,5-6H2,1-4H3,(H,14,15)
InChIKeyLBUUDSNNGYLAQN-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.99
Rot. Bonds4

About 2,2,2-trifluoro-N'-methyl-N-(4-methylhexan-2-yl)ethanimidamide

2,2,2-trifluoro-N'-methyl-N-(4-methylhexan-2-yl)ethanimidamide (PubChem CID 123295140) has the molecular formula C10H19F3N2 and a molecular weight of 224.27 g/mol. Its IUPAC name is 2,2,2-trifluoro-N'-methyl-N-(4-methylhexan-2-yl)ethanimidamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N'-methyl-N-(4-methylhexan-2-yl)ethanimidamide
PubChem CID123295140
Molecular FormulaC10H19F3N2
Molecular Weight224.27 g/mol
Exact Mass224.15
IUPAC Name2,2,2-trifluoro-N'-methyl-N-(4-methylhexan-2-yl)ethanimidamide
SMILESCCC(C)CC(C)N/C(=N\C)C(F)(F)F
InChIInChI=1S/C10H19F3N2/c1-5-7(2)6-8(3)15-9(14-4)10(11,12)13/h7-8H,5-6H2,1-4H3,(H,14,15)
InChIKeyLBUUDSNNGYLAQN-UHFFFAOYSA-N
XLogP2.99
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.99
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

4-methyl-N-(4,4,4-trifluorobutan-2-yl)hexan-2-amine
CID 115892026
5-methyl-N-(4,4,4-trifluorobutan-2-yl)heptan-3-amine
CID 104860331
3-amino-3-hydroxyimino-2-methyl-N-(4-methylhexan-2-yl)propanamide
CID 77070038
2-(N'-hydroxycarbamimidoyl)-2-methyl-N-(4-methylhexan-2-yl)butanamide
CID 113270872
N-(4-methylhexan-2-yl)-2-propan-2-yloxyacetamide
CID 112695628
1-(1-methoxypropan-2-yl)-3-(4-methylhexan-2-yl)thiourea
CID 115662327
1,1,1-trifluoro-3-methylpentane
CID 21020397
(4S)-1,1,1-trifluoro-4,6-dimethyl-2-(trifluoromethyl)octane
CID 162565370
2-hydroxy-2-methyl-3-(4-methylhexan-2-ylcarbamoylamino)propanoic acid
CID 66177031
1-(3-methoxypropyl)-3-(4-methylhexan-2-yl)thiourea
CID 115662333
5-(4-methylhexan-2-ylcarbamoylamino)hexanoic acid
CID 82848355
5-(1-hydroxyethenylamino)-3-methyl-1-(4-methylhexan-2-ylamino)hexan-1-ol
CID 91384509

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N'-methyl-N-(4-methylhexan-2-yl)ethanimidamide?
The IUPAC name of 2,2,2-trifluoro-N'-methyl-N-(4-methylhexan-2-yl)ethanimidamide (CID 123295140) is 2,2,2-trifluoro-N'-methyl-N-(4-methylhexan-2-yl)ethanimidamide.
What is the SMILES notation for 2,2,2-trifluoro-N'-methyl-N-(4-methylhexan-2-yl)ethanimidamide?
The canonical SMILES for 2,2,2-trifluoro-N'-methyl-N-(4-methylhexan-2-yl)ethanimidamide is CCC(C)CC(C)N/C(=N\C)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N'-methyl-N-(4-methylhexan-2-yl)ethanimidamide?
The InChIKey is LBUUDSNNGYLAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2/c1-5-7(2)6-8(3)15-9(14-4)10(11,12)13/h7-8H,5-6H2,1-4H3,(H,14,15).
What are the key properties of 2,2,2-trifluoro-N'-methyl-N-(4-methylhexan-2-yl)ethanimidamide?
2,2,2-trifluoro-N'-methyl-N-(4-methylhexan-2-yl)ethanimidamide has a molecular weight of 224.27 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N'-methyl-N-(4-methylhexan-2-yl)ethanimidamide is sourced from PubChem (CID 123295140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).