N-tert-butyl-4-[2-(tert-butylamino)ethoxy]-3,3-difluorobutan-1-amine

C14H30F2N2O — CID 138460818

IUPACN-tert-butyl-4-[2-(tert-butylamino)ethoxy]-3,3-difluorobutan-1-amine
SMILESCC(C)(C)NCCOCC(F)(F)CCNC(C)(C)C
InChIInChI=1S/C14H30F2N2O/c1-12(2,3)17-8-7-14(15,16)11-19-10-9-18-13(4,5)6/h17-18H,7-11H2,1-6H3
InChIKeyWGMNZYDDKBYILU-UHFFFAOYSA-N
MW280.40 g/mol
LogP2.80
Rot. Bonds8

About N-tert-butyl-4-[2-(tert-butylamino)ethoxy]-3,3-difluorobutan-1-amine

N-tert-butyl-4-[2-(tert-butylamino)ethoxy]-3,3-difluorobutan-1-amine (PubChem CID 138460818) has the molecular formula C14H30F2N2O and a molecular weight of 280.40 g/mol. Its IUPAC name is N-tert-butyl-4-[2-(tert-butylamino)ethoxy]-3,3-difluorobutan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-[2-(tert-butylamino)ethoxy]-3,3-difluorobutan-1-amine
PubChem CID138460818
Molecular FormulaC14H30F2N2O
Molecular Weight280.40 g/mol
Exact Mass280.23
IUPAC NameN-tert-butyl-4-[2-(tert-butylamino)ethoxy]-3,3-difluorobutan-1-amine
SMILESCC(C)(C)NCCOCC(F)(F)CCNC(C)(C)C
InChIInChI=1S/C14H30F2N2O/c1-12(2,3)17-8-7-14(15,16)11-19-10-9-18-13(4,5)6/h17-18H,7-11H2,1-6H3
InChIKeyWGMNZYDDKBYILU-UHFFFAOYSA-N
XLogP2.80
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-tert-butyl-4-[2-(tert-butylamino)ethoxy]-3,3-difluorobutan-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[2-(tert-butylamino)ethoxy]-3,3-difluorobutan-1-amine?
The IUPAC name of N-tert-butyl-4-[2-(tert-butylamino)ethoxy]-3,3-difluorobutan-1-amine (CID 138460818) is N-tert-butyl-4-[2-(tert-butylamino)ethoxy]-3,3-difluorobutan-1-amine.
What is the SMILES notation for N-tert-butyl-4-[2-(tert-butylamino)ethoxy]-3,3-difluorobutan-1-amine?
The canonical SMILES for N-tert-butyl-4-[2-(tert-butylamino)ethoxy]-3,3-difluorobutan-1-amine is CC(C)(C)NCCOCC(F)(F)CCNC(C)(C)C.
What is the InChIKey of N-tert-butyl-4-[2-(tert-butylamino)ethoxy]-3,3-difluorobutan-1-amine?
The InChIKey is WGMNZYDDKBYILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30F2N2O/c1-12(2,3)17-8-7-14(15,16)11-19-10-9-18-13(4,5)6/h17-18H,7-11H2,1-6H3.
What are the key properties of N-tert-butyl-4-[2-(tert-butylamino)ethoxy]-3,3-difluorobutan-1-amine?
N-tert-butyl-4-[2-(tert-butylamino)ethoxy]-3,3-difluorobutan-1-amine has a molecular weight of 280.40 g/mol, XLogP of 2.80, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[2-(tert-butylamino)ethoxy]-3,3-difluorobutan-1-amine is sourced from PubChem (CID 138460818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).