N-tert-butyl-3,3-difluoro-N,4,4-trimethylpentan-1-amine

C12H25F2N — CID 176737680

IUPACN-tert-butyl-3,3-difluoro-N,4,4-trimethylpentan-1-amine
SMILESCN(CCC(F)(F)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H25F2N/c1-10(2,3)12(13,14)8-9-15(7)11(4,5)6/h8-9H2,1-7H3
InChIKeyHGTZTFTZEOCHTF-UHFFFAOYSA-N
MW221.33 g/mol
LogP3.79
Rot. Bonds3

About N-tert-butyl-3,3-difluoro-N,4,4-trimethylpentan-1-amine

N-tert-butyl-3,3-difluoro-N,4,4-trimethylpentan-1-amine (PubChem CID 176737680) has the molecular formula C12H25F2N and a molecular weight of 221.33 g/mol. Its IUPAC name is N-tert-butyl-3,3-difluoro-N,4,4-trimethylpentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-3,3-difluoro-N,4,4-trimethylpentan-1-amine
PubChem CID176737680
Molecular FormulaC12H25F2N
Molecular Weight221.33 g/mol
Exact Mass221.20
IUPAC NameN-tert-butyl-3,3-difluoro-N,4,4-trimethylpentan-1-amine
SMILESCN(CCC(F)(F)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C12H25F2N/c1-10(2,3)12(13,14)8-9-15(7)11(4,5)6/h8-9H2,1-7H3
InChIKeyHGTZTFTZEOCHTF-UHFFFAOYSA-N
XLogP3.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-tert-butyl-3,3-difluoro-N,4,4-trimethylpentan-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-3,3-difluoro-N,4,4-trimethylpentan-1-amine?
The IUPAC name of N-tert-butyl-3,3-difluoro-N,4,4-trimethylpentan-1-amine (CID 176737680) is N-tert-butyl-3,3-difluoro-N,4,4-trimethylpentan-1-amine.
What is the SMILES notation for N-tert-butyl-3,3-difluoro-N,4,4-trimethylpentan-1-amine?
The canonical SMILES for N-tert-butyl-3,3-difluoro-N,4,4-trimethylpentan-1-amine is CN(CCC(F)(F)C(C)(C)C)C(C)(C)C.
What is the InChIKey of N-tert-butyl-3,3-difluoro-N,4,4-trimethylpentan-1-amine?
The InChIKey is HGTZTFTZEOCHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25F2N/c1-10(2,3)12(13,14)8-9-15(7)11(4,5)6/h8-9H2,1-7H3.
What are the key properties of N-tert-butyl-3,3-difluoro-N,4,4-trimethylpentan-1-amine?
N-tert-butyl-3,3-difluoro-N,4,4-trimethylpentan-1-amine has a molecular weight of 221.33 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3,3-difluoro-N,4,4-trimethylpentan-1-amine is sourced from PubChem (CID 176737680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).