tert-butyl N-[3-(cycloheptylamino)-2,2-difluoropropyl]carbamate

C15H28F2N2O2 — CID 107257366

IUPACtert-butyl N-[3-(cycloheptylamino)-2,2-difluoropropyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(F)(F)CNC1CCCCCC1
InChIInChI=1S/C15H28F2N2O2/c1-14(2,3)21-13(20)19-11-15(16,17)10-18-12-8-6-4-5-7-9-12/h12,18H,4-11H2,1-3H3,(H,19,20)
InChIKeyKSENGUHGKICRCV-UHFFFAOYSA-N
MW306.40 g/mol
LogP3.46
Rot. Bonds5

About tert-butyl N-[3-(cycloheptylamino)-2,2-difluoropropyl]carbamate

tert-butyl N-[3-(cycloheptylamino)-2,2-difluoropropyl]carbamate (PubChem CID 107257366) has the molecular formula C15H28F2N2O2 and a molecular weight of 306.40 g/mol. Its IUPAC name is tert-butyl N-[3-(cycloheptylamino)-2,2-difluoropropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(cycloheptylamino)-2,2-difluoropropyl]carbamate
PubChem CID107257366
Molecular FormulaC15H28F2N2O2
Molecular Weight306.40 g/mol
Exact Mass306.21
IUPAC Nametert-butyl N-[3-(cycloheptylamino)-2,2-difluoropropyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(F)(F)CNC1CCCCCC1
InChIInChI=1S/C15H28F2N2O2/c1-14(2,3)21-13(20)19-11-15(16,17)10-18-12-8-6-4-5-7-9-12/h12,18H,4-11H2,1-3H3,(H,19,20)
InChIKeyKSENGUHGKICRCV-UHFFFAOYSA-N
XLogP3.46
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2,2-difluoro-3-[(4-methylcycloheptyl)amino]propyl]carbamate
CID 107257414
tert-butyl N-[2,2-difluoro-3-[(3-methylcyclohexyl)amino]propyl]carbamate
CID 107257517
tert-butyl N-[3-[(1-acetylpiperidin-4-yl)amino]-2,2-difluoropropyl]carbamate
CID 104953969
tert-butyl N-[3-[(3-aminocyclopentyl)amino]-2,2-difluoropropyl]carbamate
CID 107257482
tert-butyl N-[3-(1-cyclohexylethylamino)-2,2-difluoropropyl]carbamate
CID 107257467
tert-butyl N-[2-(cyclododecylamino)ethyl]carbamate
CID 107241352
tert-butyl N-[2,2-difluoro-3-[(1-prop-2-ynylpiperidin-4-yl)amino]propyl]carbamate
CID 104955545
tert-butyl N-[6-(cyclohexylamino)hexyl]carbamate
CID 10590220
tert-butyl N-[3-(dicyclopropylmethylamino)-2,2-difluoropropyl]carbamate
CID 104955558
tert-butyl N-[4-(cyclobutylamino)butyl]carbamate
CID 130986034
tert-butyl N-[2-[(cyclooctylamino)methyl]-3-methylbutyl]carbamate
CID 107440994
tert-butyl N-[2-methyl-1-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-yl]carbamate
CID 104624550

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(cycloheptylamino)-2,2-difluoropropyl]carbamate?
The IUPAC name of tert-butyl N-[3-(cycloheptylamino)-2,2-difluoropropyl]carbamate (CID 107257366) is tert-butyl N-[3-(cycloheptylamino)-2,2-difluoropropyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(cycloheptylamino)-2,2-difluoropropyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(cycloheptylamino)-2,2-difluoropropyl]carbamate is CC(C)(C)OC(=O)NCC(F)(F)CNC1CCCCCC1.
What is the InChIKey of tert-butyl N-[3-(cycloheptylamino)-2,2-difluoropropyl]carbamate?
The InChIKey is KSENGUHGKICRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F2N2O2/c1-14(2,3)21-13(20)19-11-15(16,17)10-18-12-8-6-4-5-7-9-12/h12,18H,4-11H2,1-3H3,(H,19,20).
What are the key properties of tert-butyl N-[3-(cycloheptylamino)-2,2-difluoropropyl]carbamate?
tert-butyl N-[3-(cycloheptylamino)-2,2-difluoropropyl]carbamate has a molecular weight of 306.40 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(cycloheptylamino)-2,2-difluoropropyl]carbamate is sourced from PubChem (CID 107257366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).