1-(aminomethyl)-4-methyl-N-(2,2,3,3-tetrafluoropropyl)cyclohexane-1-carboxamide

C12H20F4N2O — CID 106291418

IUPAC1-(aminomethyl)-4-methyl-N-(2,2,3,3-tetrafluoropropyl)cyclohexane-1-carboxamide
SMILESCC1CCC(CN)(C(=O)NCC(F)(F)C(F)F)CC1
InChIInChI=1S/C12H20F4N2O/c1-8-2-4-11(6-17,5-3-8)10(19)18-7-12(15,16)9(13)14/h8-9H,2-7,17H2,1H3,(H,18,19)
InChIKeyZCKHSLDUFDRNFS-UHFFFAOYSA-N
MW284.30 g/mol
LogP2.16
Rot. Bonds5

About 1-(aminomethyl)-4-methyl-N-(2,2,3,3-tetrafluoropropyl)cyclohexane-1-carboxamide

1-(aminomethyl)-4-methyl-N-(2,2,3,3-tetrafluoropropyl)cyclohexane-1-carboxamide (PubChem CID 106291418) has the molecular formula C12H20F4N2O and a molecular weight of 284.30 g/mol. Its IUPAC name is 1-(aminomethyl)-4-methyl-N-(2,2,3,3-tetrafluoropropyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-4-methyl-N-(2,2,3,3-tetrafluoropropyl)cyclohexane-1-carboxamide
PubChem CID106291418
Molecular FormulaC12H20F4N2O
Molecular Weight284.30 g/mol
Exact Mass284.15
IUPAC Name1-(aminomethyl)-4-methyl-N-(2,2,3,3-tetrafluoropropyl)cyclohexane-1-carboxamide
SMILESCC1CCC(CN)(C(=O)NCC(F)(F)C(F)F)CC1
InChIInChI=1S/C12H20F4N2O/c1-8-2-4-11(6-17,5-3-8)10(19)18-7-12(15,16)9(13)14/h8-9H,2-7,17H2,1H3,(H,18,19)
InChIKeyZCKHSLDUFDRNFS-UHFFFAOYSA-N
XLogP2.16
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.30
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-4-methyl-N-(2,2,3,3-tetrafluoropropyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-4-methyl-N-(2,2,3,3-tetrafluoropropyl)cyclohexane-1-carboxamide (CID 106291418) is 1-(aminomethyl)-4-methyl-N-(2,2,3,3-tetrafluoropropyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-4-methyl-N-(2,2,3,3-tetrafluoropropyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-4-methyl-N-(2,2,3,3-tetrafluoropropyl)cyclohexane-1-carboxamide is CC1CCC(CN)(C(=O)NCC(F)(F)C(F)F)CC1.
What is the InChIKey of 1-(aminomethyl)-4-methyl-N-(2,2,3,3-tetrafluoropropyl)cyclohexane-1-carboxamide?
The InChIKey is ZCKHSLDUFDRNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F4N2O/c1-8-2-4-11(6-17,5-3-8)10(19)18-7-12(15,16)9(13)14/h8-9H,2-7,17H2,1H3,(H,18,19).
What are the key properties of 1-(aminomethyl)-4-methyl-N-(2,2,3,3-tetrafluoropropyl)cyclohexane-1-carboxamide?
1-(aminomethyl)-4-methyl-N-(2,2,3,3-tetrafluoropropyl)cyclohexane-1-carboxamide has a molecular weight of 284.30 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-4-methyl-N-(2,2,3,3-tetrafluoropropyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 106291418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).