2-(aminomethyl)-N-[2-(2,2-difluoroethoxy)ethyl]-4,4-dimethylpentanamide

C12H24F2N2O2 — CID 114127414

IUPAC2-(aminomethyl)-N-[2-(2,2-difluoroethoxy)ethyl]-4,4-dimethylpentanamide
SMILESCC(C)(C)CC(CN)C(=O)NCCOCC(F)F
InChIInChI=1S/C12H24F2N2O2/c1-12(2,3)6-9(7-15)11(17)16-4-5-18-8-10(13)14/h9-10H,4-8,15H2,1-3H3,(H,16,17)
InChIKeyCWYMHZVZCSIJEI-UHFFFAOYSA-N
MW266.33 g/mol
LogP1.40
Rot. Bonds8

About 2-(aminomethyl)-N-[2-(2,2-difluoroethoxy)ethyl]-4,4-dimethylpentanamide

2-(aminomethyl)-N-[2-(2,2-difluoroethoxy)ethyl]-4,4-dimethylpentanamide (PubChem CID 114127414) has the molecular formula C12H24F2N2O2 and a molecular weight of 266.33 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[2-(2,2-difluoroethoxy)ethyl]-4,4-dimethylpentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[2-(2,2-difluoroethoxy)ethyl]-4,4-dimethylpentanamide
PubChem CID114127414
Molecular FormulaC12H24F2N2O2
Molecular Weight266.33 g/mol
Exact Mass266.18
IUPAC Name2-(aminomethyl)-N-[2-(2,2-difluoroethoxy)ethyl]-4,4-dimethylpentanamide
SMILESCC(C)(C)CC(CN)C(=O)NCCOCC(F)F
InChIInChI=1S/C12H24F2N2O2/c1-12(2,3)6-9(7-15)11(17)16-4-5-18-8-10(13)14/h9-10H,4-8,15H2,1-3H3,(H,16,17)
InChIKeyCWYMHZVZCSIJEI-UHFFFAOYSA-N
XLogP1.40
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 71988718
(2S)-2-amino-5,5-difluoro-N-[(2S)-1-methoxy-4-methylpentan-2-yl]-4,4-dimethylpentanamide
CID 166673403
N-[2-fluoro-3-[2-[2-(methylamino)ethoxy]ethoxy]propyl]-2-methylpentanamide
CID 167191393
(2R)-2-amino-5,5-difluoro-N-[(2S)-1-methoxy-4-methylpentan-2-yl]-4,4-dimethylpentanamide
CID 169899361
2-carbamothioyl-2-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butanamide
CID 55259926
3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide
CID 55260504
2-(aminomethyl)-2-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butanamide
CID 55260881
1-(aminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexane-1-carboxamide
CID 55260882
3-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide
CID 55260889
N-(3-ethoxypropyl)-3-methyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 63131629
N-(2-aminoethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide
CID 63252709
N-(2-ethoxyethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708600

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[2-(2,2-difluoroethoxy)ethyl]-4,4-dimethylpentanamide?
The IUPAC name of 2-(aminomethyl)-N-[2-(2,2-difluoroethoxy)ethyl]-4,4-dimethylpentanamide (CID 114127414) is 2-(aminomethyl)-N-[2-(2,2-difluoroethoxy)ethyl]-4,4-dimethylpentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[2-(2,2-difluoroethoxy)ethyl]-4,4-dimethylpentanamide?
The canonical SMILES for 2-(aminomethyl)-N-[2-(2,2-difluoroethoxy)ethyl]-4,4-dimethylpentanamide is CC(C)(C)CC(CN)C(=O)NCCOCC(F)F.
What is the InChIKey of 2-(aminomethyl)-N-[2-(2,2-difluoroethoxy)ethyl]-4,4-dimethylpentanamide?
The InChIKey is CWYMHZVZCSIJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F2N2O2/c1-12(2,3)6-9(7-15)11(17)16-4-5-18-8-10(13)14/h9-10H,4-8,15H2,1-3H3,(H,16,17).
What are the key properties of 2-(aminomethyl)-N-[2-(2,2-difluoroethoxy)ethyl]-4,4-dimethylpentanamide?
2-(aminomethyl)-N-[2-(2,2-difluoroethoxy)ethyl]-4,4-dimethylpentanamide has a molecular weight of 266.33 g/mol, XLogP of 1.40, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[2-(2,2-difluoroethoxy)ethyl]-4,4-dimethylpentanamide is sourced from PubChem (CID 114127414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).