3,3,3-trifluoro-2-[[methyl-(3-methylcyclohexyl)amino]methyl]propanimidamide

C12H22F3N3 — CID 103370642

IUPAC3,3,3-trifluoro-2-[[methyl-(3-methylcyclohexyl)amino]methyl]propanimidamide
SMILES[H]/N=C(\N)C(CN(C)C1CCCC(C)C1)C(F)(F)F
InChIInChI=1S/C12H22F3N3/c1-8-4-3-5-9(6-8)18(2)7-10(11(16)17)12(13,14)15/h8-10H,3-7H2,1-2H3,(H3,16,17)
InChIKeyCKVMFOJCTJECQJ-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.61
Rot. Bonds4

About 3,3,3-trifluoro-2-[[methyl-(3-methylcyclohexyl)amino]methyl]propanimidamide

3,3,3-trifluoro-2-[[methyl-(3-methylcyclohexyl)amino]methyl]propanimidamide (PubChem CID 103370642) has the molecular formula C12H22F3N3 and a molecular weight of 265.32 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[[methyl-(3-methylcyclohexyl)amino]methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[[methyl-(3-methylcyclohexyl)amino]methyl]propanimidamide
PubChem CID103370642
Molecular FormulaC12H22F3N3
Molecular Weight265.32 g/mol
Exact Mass265.18
IUPAC Name3,3,3-trifluoro-2-[[methyl-(3-methylcyclohexyl)amino]methyl]propanimidamide
SMILES[H]/N=C(\N)C(CN(C)C1CCCC(C)C1)C(F)(F)F
InChIInChI=1S/C12H22F3N3/c1-8-4-3-5-9(6-8)18(2)7-10(11(16)17)12(13,14)15/h8-10H,3-7H2,1-2H3,(H3,16,17)
InChIKeyCKVMFOJCTJECQJ-UHFFFAOYSA-N
XLogP2.61
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.61
H-Bond Donors ≤ 52
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

N-methyl-N-(2,2,2-trifluoroethyl)cyclohexanecarboximidamide
CID 63176170
N-propyl-N-(2,2,2-trifluoroethyl)cyclohexanecarboximidamide
CID 63176727
N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexanecarboximidamide
CID 63176844
N-ethyl-N-(2,2,2-trifluoroethyl)cyclohexanecarboximidamide
CID 63176958
N-cyclopropyl-N-(2,2,2-trifluoroethyl)cyclohexanecarboximidamide
CID 63177207
3-[3-(Trifluoromethyl)piperidin-1-yl]pentanimidamide
CID 65536266
3-[4-(Trifluoromethyl)piperidin-1-yl]butanimidamide
CID 65537230
3-[4-(Trifluoromethyl)piperidin-1-yl]pentanimidamide
CID 65537620
3-[3-(Trifluoromethyl)piperidin-1-yl]butanimidamide
CID 65538966
N-methyl-N-(3,3,3-trifluoropropyl)cyclohexanecarboximidamide
CID 65545934
3,3,3-trifluoro-N'-hydroxy-2-[[methyl-(4-methylcyclohexyl)amino]methyl]propanimidamide
CID 103369311
2-[[cyclohexylmethyl(methyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369320

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[[methyl-(3-methylcyclohexyl)amino]methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-2-[[methyl-(3-methylcyclohexyl)amino]methyl]propanimidamide (CID 103370642) is 3,3,3-trifluoro-2-[[methyl-(3-methylcyclohexyl)amino]methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-2-[[methyl-(3-methylcyclohexyl)amino]methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-2-[[methyl-(3-methylcyclohexyl)amino]methyl]propanimidamide is [H]/N=C(\N)C(CN(C)C1CCCC(C)C1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[[methyl-(3-methylcyclohexyl)amino]methyl]propanimidamide?
The InChIKey is CKVMFOJCTJECQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3N3/c1-8-4-3-5-9(6-8)18(2)7-10(11(16)17)12(13,14)15/h8-10H,3-7H2,1-2H3,(H3,16,17).
What are the key properties of 3,3,3-trifluoro-2-[[methyl-(3-methylcyclohexyl)amino]methyl]propanimidamide?
3,3,3-trifluoro-2-[[methyl-(3-methylcyclohexyl)amino]methyl]propanimidamide has a molecular weight of 265.32 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[[methyl-(3-methylcyclohexyl)amino]methyl]propanimidamide is sourced from PubChem (CID 103370642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).