N-(3-aminopropyl)-2,2-dimethyl-3-(1,2,2-trifluoroethoxy)propanamide

C10H19F3N2O2 — CID 58502648

IUPACN-(3-aminopropyl)-2,2-dimethyl-3-(1,2,2-trifluoroethoxy)propanamide
SMILESCC(C)(COC(F)C(F)F)C(=O)NCCCN
InChIInChI=1S/C10H19F3N2O2/c1-10(2,6-17-8(13)7(11)12)9(16)15-5-3-4-14/h7-8H,3-6,14H2,1-2H3,(H,15,16)
InChIKeyZOVOVMVXCLPRHD-UHFFFAOYSA-N
MW256.27 g/mol
LogP1.05
Rot. Bonds8

About N-(3-aminopropyl)-2,2-dimethyl-3-(1,2,2-trifluoroethoxy)propanamide

N-(3-aminopropyl)-2,2-dimethyl-3-(1,2,2-trifluoroethoxy)propanamide (PubChem CID 58502648) has the molecular formula C10H19F3N2O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is N-(3-aminopropyl)-2,2-dimethyl-3-(1,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2,2-dimethyl-3-(1,2,2-trifluoroethoxy)propanamide
PubChem CID58502648
Molecular FormulaC10H19F3N2O2
Molecular Weight256.27 g/mol
Exact Mass256.14
IUPAC NameN-(3-aminopropyl)-2,2-dimethyl-3-(1,2,2-trifluoroethoxy)propanamide
SMILESCC(C)(COC(F)C(F)F)C(=O)NCCCN
InChIInChI=1S/C10H19F3N2O2/c1-10(2,6-17-8(13)7(11)12)9(16)15-5-3-4-14/h7-8H,3-6,14H2,1-2H3,(H,15,16)
InChIKeyZOVOVMVXCLPRHD-UHFFFAOYSA-N
XLogP1.05
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 51.05
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-(3-aminopropyl)-2,2-dimethyl-3-(1,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-(3-aminopropyl)-2,2-dimethyl-3-(1,2,2-trifluoroethoxy)propanamide (CID 58502648) is N-(3-aminopropyl)-2,2-dimethyl-3-(1,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-(3-aminopropyl)-2,2-dimethyl-3-(1,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-(3-aminopropyl)-2,2-dimethyl-3-(1,2,2-trifluoroethoxy)propanamide is CC(C)(COC(F)C(F)F)C(=O)NCCCN.
What is the InChIKey of N-(3-aminopropyl)-2,2-dimethyl-3-(1,2,2-trifluoroethoxy)propanamide?
The InChIKey is ZOVOVMVXCLPRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2/c1-10(2,6-17-8(13)7(11)12)9(16)15-5-3-4-14/h7-8H,3-6,14H2,1-2H3,(H,15,16).
What are the key properties of N-(3-aminopropyl)-2,2-dimethyl-3-(1,2,2-trifluoroethoxy)propanamide?
N-(3-aminopropyl)-2,2-dimethyl-3-(1,2,2-trifluoroethoxy)propanamide has a molecular weight of 256.27 g/mol, XLogP of 1.05, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2,2-dimethyl-3-(1,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 58502648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).