tert-butyl N-[2,2-difluoro-3-(2-methylpropylamino)propyl]carbamate

C12H24F2N2O2 — CID 104953993

IUPACtert-butyl N-[2,2-difluoro-3-(2-methylpropylamino)propyl]carbamate
SMILESCC(C)CNCC(F)(F)CNC(=O)OC(C)(C)C
InChIInChI=1S/C12H24F2N2O2/c1-9(2)6-15-7-12(13,14)8-16-10(17)18-11(3,4)5/h9,15H,6-8H2,1-5H3,(H,16,17)
InChIKeyPBOLOHDWMDYDOF-UHFFFAOYSA-N
MW266.33 g/mol
LogP2.39
Rot. Bonds6

About tert-butyl N-[2,2-difluoro-3-(2-methylpropylamino)propyl]carbamate

tert-butyl N-[2,2-difluoro-3-(2-methylpropylamino)propyl]carbamate (PubChem CID 104953993) has the molecular formula C12H24F2N2O2 and a molecular weight of 266.33 g/mol. Its IUPAC name is tert-butyl N-[2,2-difluoro-3-(2-methylpropylamino)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2,2-difluoro-3-(2-methylpropylamino)propyl]carbamate
PubChem CID104953993
Molecular FormulaC12H24F2N2O2
Molecular Weight266.33 g/mol
Exact Mass266.18
IUPAC Nametert-butyl N-[2,2-difluoro-3-(2-methylpropylamino)propyl]carbamate
SMILESCC(C)CNCC(F)(F)CNC(=O)OC(C)(C)C
InChIInChI=1S/C12H24F2N2O2/c1-9(2)6-15-7-12(13,14)8-16-10(17)18-11(3,4)5/h9,15H,6-8H2,1-5H3,(H,16,17)
InChIKeyPBOLOHDWMDYDOF-UHFFFAOYSA-N
XLogP2.39
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[2,2-difluoro-3-(2-methylpropylamino)propyl]carbamate with MolForge

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

Launch Full Analysis

Related Compounds

tert-butyl N-[3-(butan-2-ylamino)-2,2-difluoropropyl]carbamate
CID 104955597
tert-butyl N-[3-(2-methylpropylamino)propyl]carbamate
CID 59722489
3,3-difluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 50986491
tert-butyl N-[3-(dicyclopropylmethylamino)-2,2-difluoropropyl]carbamate
CID 104955558
tert-butyl N-[2,2-difluoro-3-[(4-hydroxyphenyl)methylamino]propyl]carbamate
CID 102809780
tert-butyl N-[3-[(2,6-difluorophenyl)methylamino]-2,2-difluoropropyl]carbamate
CID 104954072
tert-butyl N-[3-(1-cyclohexylethylamino)-2,2-difluoropropyl]carbamate
CID 107257467
2-fluoro-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 142350592
tert-butyl N-(2,2-difluoro-3-oxobutyl)carbamate
CID 129292881
tert-butyl N-[3-[(2-tert-butylpyrimidin-5-yl)methylamino]-2,2-difluoropropyl]carbamate
CID 114276626
tert-butyl N-[(3R)-3-(2-methylpropylamino)butyl]carbamate
CID 90685255
tert-butyl N-[2-(2,2-dimethylpropylamino)-2,3-dimethylbutyl]carbamate
CID 107252614

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2,2-difluoro-3-(2-methylpropylamino)propyl]carbamate?
The IUPAC name of tert-butyl N-[2,2-difluoro-3-(2-methylpropylamino)propyl]carbamate (CID 104953993) is tert-butyl N-[2,2-difluoro-3-(2-methylpropylamino)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2,2-difluoro-3-(2-methylpropylamino)propyl]carbamate?
The canonical SMILES for tert-butyl N-[2,2-difluoro-3-(2-methylpropylamino)propyl]carbamate is CC(C)CNCC(F)(F)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2,2-difluoro-3-(2-methylpropylamino)propyl]carbamate?
The InChIKey is PBOLOHDWMDYDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F2N2O2/c1-9(2)6-15-7-12(13,14)8-16-10(17)18-11(3,4)5/h9,15H,6-8H2,1-5H3,(H,16,17).
What are the key properties of tert-butyl N-[2,2-difluoro-3-(2-methylpropylamino)propyl]carbamate?
tert-butyl N-[2,2-difluoro-3-(2-methylpropylamino)propyl]carbamate has a molecular weight of 266.33 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2,2-difluoro-3-(2-methylpropylamino)propyl]carbamate is sourced from PubChem (CID 104953993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).