2-[methyl-[(2-methylcyclopropyl)methyl]amino]-5-(trifluoromethyl)benzenecarboximidamide

C14H18F3N3 — CID 63865694

IUPAC2-[methyl-[(2-methylcyclopropyl)methyl]amino]-5-(trifluoromethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(C(F)(F)F)ccc1N(C)CC1CC1C
InChIInChI=1S/C14H18F3N3/c1-8-5-9(8)7-20(2)12-4-3-10(14(15,16)17)6-11(12)13(18)19/h3-4,6,8-9H,5,7H2,1-2H3,(H3,18,19)
InChIKeyNDLZHDOKCCDPNB-UHFFFAOYSA-N
MW285.31 g/mol
LogP3.08
Rot. Bonds4

About 2-[methyl-[(2-methylcyclopropyl)methyl]amino]-5-(trifluoromethyl)benzenecarboximidamide

2-[methyl-[(2-methylcyclopropyl)methyl]amino]-5-(trifluoromethyl)benzenecarboximidamide (PubChem CID 63865694) has the molecular formula C14H18F3N3 and a molecular weight of 285.31 g/mol. Its IUPAC name is 2-[methyl-[(2-methylcyclopropyl)methyl]amino]-5-(trifluoromethyl)benzenecarboximidamide.

Molecular Properties

Compound Name2-[methyl-[(2-methylcyclopropyl)methyl]amino]-5-(trifluoromethyl)benzenecarboximidamide
PubChem CID63865694
Molecular FormulaC14H18F3N3
Molecular Weight285.31 g/mol
Exact Mass285.15
IUPAC Name2-[methyl-[(2-methylcyclopropyl)methyl]amino]-5-(trifluoromethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(C(F)(F)F)ccc1N(C)CC1CC1C
InChIInChI=1S/C14H18F3N3/c1-8-5-9(8)7-20(2)12-4-3-10(14(15,16)17)6-11(12)13(18)19/h3-4,6,8-9H,5,7H2,1-2H3,(H3,18,19)
InChIKeyNDLZHDOKCCDPNB-UHFFFAOYSA-N
XLogP3.08
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 53.08
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

2-[cyclopropyl(methyl)amino]-5-(trifluoromethyl)benzenecarboximidamide
CID 43265029
2-[methyl-[(2-methylcyclopropyl)methyl]amino]-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79877127
2-(dipropylamino)-5-(trifluoromethyl)benzenecarboximidamide
CID 43153708
2-fluoro-6-[methyl-[(2-methylcyclopropyl)methyl]amino]benzenecarboximidamide
CID 79519909
2-[2-methoxyethyl(propan-2-yl)amino]-5-(trifluoromethyl)benzenecarboximidamide
CID 82939570
2-[cyclohexylmethyl(methyl)amino]-5-fluorobenzenecarboximidamide
CID 63669000
2-(ethylamino)-5-(trifluoromethyl)benzenecarboximidamide
CID 62201411
2-(4-methylcyclohexyl)oxy-5-(trifluoromethyl)benzenecarboximidamide
CID 43153728
2-[methyl-[(2-methylcyclopropyl)methyl]amino]pyrimidine-4-carboximidamide
CID 107550526
2-(cyclopentylmethoxy)-5-(trifluoromethyl)benzenecarboximidamide
CID 66323058
2-[cyclobutylmethyl(methyl)amino]-5-(trifluoromethyl)benzoic acid
CID 62856621
N'-hydroxy-2-[2-hydroxyethyl(methyl)amino]-5-(trifluoromethyl)benzenecarboximidamide
CID 54879441

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(2-methylcyclopropyl)methyl]amino]-5-(trifluoromethyl)benzenecarboximidamide?
The IUPAC name of 2-[methyl-[(2-methylcyclopropyl)methyl]amino]-5-(trifluoromethyl)benzenecarboximidamide (CID 63865694) is 2-[methyl-[(2-methylcyclopropyl)methyl]amino]-5-(trifluoromethyl)benzenecarboximidamide.
What is the SMILES notation for 2-[methyl-[(2-methylcyclopropyl)methyl]amino]-5-(trifluoromethyl)benzenecarboximidamide?
The canonical SMILES for 2-[methyl-[(2-methylcyclopropyl)methyl]amino]-5-(trifluoromethyl)benzenecarboximidamide is [H]/N=C(\N)c1cc(C(F)(F)F)ccc1N(C)CC1CC1C.
What is the InChIKey of 2-[methyl-[(2-methylcyclopropyl)methyl]amino]-5-(trifluoromethyl)benzenecarboximidamide?
The InChIKey is NDLZHDOKCCDPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3/c1-8-5-9(8)7-20(2)12-4-3-10(14(15,16)17)6-11(12)13(18)19/h3-4,6,8-9H,5,7H2,1-2H3,(H3,18,19).
What are the key properties of 2-[methyl-[(2-methylcyclopropyl)methyl]amino]-5-(trifluoromethyl)benzenecarboximidamide?
2-[methyl-[(2-methylcyclopropyl)methyl]amino]-5-(trifluoromethyl)benzenecarboximidamide has a molecular weight of 285.31 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(2-methylcyclopropyl)methyl]amino]-5-(trifluoromethyl)benzenecarboximidamide is sourced from PubChem (CID 63865694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).