N-[1-(aminomethyl)cyclobutyl]-3-(2,2,2-trifluoroethoxy)propanamide

C10H17F3N2O2 — CID 103213007

IUPACN-[1-(aminomethyl)cyclobutyl]-3-(2,2,2-trifluoroethoxy)propanamide
SMILESNCC1(NC(=O)CCOCC(F)(F)F)CCC1
InChIInChI=1S/C10H17F3N2O2/c11-10(12,13)7-17-5-2-8(16)15-9(6-14)3-1-4-9/h1-7,14H2,(H,15,16)
InChIKeyBMTBHBKWCZEGBQ-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.95
Rot. Bonds6

About N-[1-(aminomethyl)cyclobutyl]-3-(2,2,2-trifluoroethoxy)propanamide

N-[1-(aminomethyl)cyclobutyl]-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 103213007) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclobutyl]-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclobutyl]-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID103213007
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC NameN-[1-(aminomethyl)cyclobutyl]-3-(2,2,2-trifluoroethoxy)propanamide
SMILESNCC1(NC(=O)CCOCC(F)(F)F)CCC1
InChIInChI=1S/C10H17F3N2O2/c11-10(12,13)7-17-5-2-8(16)15-9(6-14)3-1-4-9/h1-7,14H2,(H,15,16)
InChIKeyBMTBHBKWCZEGBQ-UHFFFAOYSA-N
XLogP0.95
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.95
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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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclobutyl]-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-[1-(aminomethyl)cyclobutyl]-3-(2,2,2-trifluoroethoxy)propanamide (CID 103213007) is N-[1-(aminomethyl)cyclobutyl]-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclobutyl]-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-[1-(aminomethyl)cyclobutyl]-3-(2,2,2-trifluoroethoxy)propanamide is NCC1(NC(=O)CCOCC(F)(F)F)CCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclobutyl]-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is BMTBHBKWCZEGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c11-10(12,13)7-17-5-2-8(16)15-9(6-14)3-1-4-9/h1-7,14H2,(H,15,16).
What are the key properties of N-[1-(aminomethyl)cyclobutyl]-3-(2,2,2-trifluoroethoxy)propanamide?
N-[1-(aminomethyl)cyclobutyl]-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 254.25 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclobutyl]-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 103213007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).