(E)-1-cyclopentyl-3,3-dimethyl-N-(trifluoromethoxy)butan-1-imine

C12H20F3NO — CID 59350944

IUPAC(E)-1-cyclopentyl-3,3-dimethyl-N-(trifluoromethoxy)butan-1-imine
SMILESCC(C)(C)C/C(=N\OC(F)(F)F)C1CCCC1
InChIInChI=1S/C12H20F3NO/c1-11(2,3)8-10(9-6-4-5-7-9)16-17-12(13,14)15/h9H,4-8H2,1-3H3/b16-10+
InChIKeyMBZZKRMXEHEOFW-MHWRWJLKSA-N
MW251.29 g/mol
LogP4.51
Rot. Bonds3

About (E)-1-cyclopentyl-3,3-dimethyl-N-(trifluoromethoxy)butan-1-imine

(E)-1-cyclopentyl-3,3-dimethyl-N-(trifluoromethoxy)butan-1-imine (PubChem CID 59350944) has the molecular formula C12H20F3NO and a molecular weight of 251.29 g/mol. Its IUPAC name is (E)-1-cyclopentyl-3,3-dimethyl-N-(trifluoromethoxy)butan-1-imine.

Molecular Properties

Compound Name(E)-1-cyclopentyl-3,3-dimethyl-N-(trifluoromethoxy)butan-1-imine
PubChem CID59350944
Molecular FormulaC12H20F3NO
Molecular Weight251.29 g/mol
Exact Mass251.15
IUPAC Name(E)-1-cyclopentyl-3,3-dimethyl-N-(trifluoromethoxy)butan-1-imine
SMILESCC(C)(C)C/C(=N\OC(F)(F)F)C1CCCC1
InChIInChI=1S/C12H20F3NO/c1-11(2,3)8-10(9-6-4-5-7-9)16-17-12(13,14)15/h9H,4-8H2,1-3H3/b16-10+
InChIKeyMBZZKRMXEHEOFW-MHWRWJLKSA-N
XLogP4.51
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-1-cyclopentyl-3,3-dimethyl-N-(trifluoromethoxy)butan-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-1-cyclopentyl-3,3-dimethyl-N-(trifluoromethoxy)butan-1-imine
CID 59350946
(Z)-1-cyclohexyl-3,3-dimethyl-N-(trifluoromethoxy)butan-1-imine
CID 59351001
(E)-1-cyclohexyl-3,3-dimethyl-N-(trifluoromethoxy)butan-1-imine
CID 59351005
1-cyclopentyl-3,3-dimethyl-N-(trifluoromethoxy)butan-1-imine
CID 72268052
1-cyclohexyl-3,3-dimethyl-N-(trifluoromethoxy)butan-1-imine
CID 72268094
(E)-1-cyclopentyl-N-(trifluoromethoxy)propan-1-imine
CID 122659209
(E)-1-cyclohexyl-3-methyl-N-(trifluoromethoxy)butan-1-imine
CID 129070262
1-cyclopentyl-N-(trifluoromethoxy)propan-1-imine
CID 173654767
(E)-1-cyclopentyl-N-methoxy-3,3-dimethylbutan-1-imine
CID 59350958
(NE)-N-(1-cyclopentyl-3,3-dimethylbutylidene)hydroxylamine
CID 59350972
(Z)-1-cyclopentyl-N-methoxy-3,3-dimethylbutan-1-imine
CID 59350981
(NZ)-N-(1-cyclopentyl-3,3-dimethylbutylidene)hydroxylamine
CID 59350982

Frequently Asked Questions

What is the IUPAC name of (E)-1-cyclopentyl-3,3-dimethyl-N-(trifluoromethoxy)butan-1-imine?
The IUPAC name of (E)-1-cyclopentyl-3,3-dimethyl-N-(trifluoromethoxy)butan-1-imine (CID 59350944) is (E)-1-cyclopentyl-3,3-dimethyl-N-(trifluoromethoxy)butan-1-imine.
What is the SMILES notation for (E)-1-cyclopentyl-3,3-dimethyl-N-(trifluoromethoxy)butan-1-imine?
The canonical SMILES for (E)-1-cyclopentyl-3,3-dimethyl-N-(trifluoromethoxy)butan-1-imine is CC(C)(C)C/C(=N\OC(F)(F)F)C1CCCC1.
What is the InChIKey of (E)-1-cyclopentyl-3,3-dimethyl-N-(trifluoromethoxy)butan-1-imine?
The InChIKey is MBZZKRMXEHEOFW-MHWRWJLKSA-N. The full InChI is InChI=1S/C12H20F3NO/c1-11(2,3)8-10(9-6-4-5-7-9)16-17-12(13,14)15/h9H,4-8H2,1-3H3/b16-10+.
What are the key properties of (E)-1-cyclopentyl-3,3-dimethyl-N-(trifluoromethoxy)butan-1-imine?
(E)-1-cyclopentyl-3,3-dimethyl-N-(trifluoromethoxy)butan-1-imine has a molecular weight of 251.29 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-cyclopentyl-3,3-dimethyl-N-(trifluoromethoxy)butan-1-imine is sourced from PubChem (CID 59350944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).