tert-butyl N-[[2-(1,1-difluoropropan-2-ylamino)cyclohexyl]methyl]carbamate

C15H28F2N2O2 — CID 107251421

IUPACtert-butyl N-[[2-(1,1-difluoropropan-2-ylamino)cyclohexyl]methyl]carbamate
SMILESCC(NC1CCCCC1CNC(=O)OC(C)(C)C)C(F)F
InChIInChI=1S/C15H28F2N2O2/c1-10(13(16)17)19-12-8-6-5-7-11(12)9-18-14(20)21-15(2,3)4/h10-13,19H,5-9H2,1-4H3,(H,18,20)
InChIKeyXEVCPQGCCKQFRV-UHFFFAOYSA-N
MW306.40 g/mol
LogP3.31
Rot. Bonds5

About tert-butyl N-[[2-(1,1-difluoropropan-2-ylamino)cyclohexyl]methyl]carbamate

tert-butyl N-[[2-(1,1-difluoropropan-2-ylamino)cyclohexyl]methyl]carbamate (PubChem CID 107251421) has the molecular formula C15H28F2N2O2 and a molecular weight of 306.40 g/mol. Its IUPAC name is tert-butyl N-[[2-(1,1-difluoropropan-2-ylamino)cyclohexyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-(1,1-difluoropropan-2-ylamino)cyclohexyl]methyl]carbamate
PubChem CID107251421
Molecular FormulaC15H28F2N2O2
Molecular Weight306.40 g/mol
Exact Mass306.21
IUPAC Nametert-butyl N-[[2-(1,1-difluoropropan-2-ylamino)cyclohexyl]methyl]carbamate
SMILESCC(NC1CCCCC1CNC(=O)OC(C)(C)C)C(F)F
InChIInChI=1S/C15H28F2N2O2/c1-10(13(16)17)19-12-8-6-5-7-11(12)9-18-14(20)21-15(2,3)4/h10-13,19H,5-9H2,1-4H3,(H,18,20)
InChIKeyXEVCPQGCCKQFRV-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[[2-(1,1-difluoropropan-2-ylamino)cyclohexyl]methyl]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

Trans-4-(Boc-amino)-cyclohexanemethanamine hydrochloride
CID 2756044
tert-butyl N-[4-(aminomethyl)cyclohexyl]carbamate
CID 2756045
1,1-Dimethylethyl N-((4-aminocyclohexyl)methyl)carbamate
CID 21882540
tert-butyl N-[3-(aminomethyl)cyclohexyl]carbamate
CID 22713997
(3-Trifluoromethyl-piperidin-4-YL)-carbamic acid tert-butyl ester
CID 53414531
rac-tert-butyl N-{[(1r,4r)-4-(methylamino)cyclohexyl]methyl}carbamate
CID 58962901
tert-Butyl ((1R,2S)-2-(aminomethyl)cyclohexyl)carbamate
CID 68007523
rac-tert-butyl N-[(2R,4S)-2-(trifluoromethyl)piperidin-4-yl]carbamate
CID 68562588
tert-butyl N-[(3-aminocyclohexyl)methyl]carbamate
CID 69202622
tert-butyl N-(2-(aminomethyl)cyclohexyl)carbamate
CID 69840624
tert-butyl N-(3-(2-aminoethyl)cyclohexyl)carbamate
CID 84045101
[4beta-(Trifluoromethyl)cyclohexane-1beta-yl]carbamic acid tert-butyl ester
CID 60872775

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-(1,1-difluoropropan-2-ylamino)cyclohexyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-(1,1-difluoropropan-2-ylamino)cyclohexyl]methyl]carbamate (CID 107251421) is tert-butyl N-[[2-(1,1-difluoropropan-2-ylamino)cyclohexyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-(1,1-difluoropropan-2-ylamino)cyclohexyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-(1,1-difluoropropan-2-ylamino)cyclohexyl]methyl]carbamate is CC(NC1CCCCC1CNC(=O)OC(C)(C)C)C(F)F.
What is the InChIKey of tert-butyl N-[[2-(1,1-difluoropropan-2-ylamino)cyclohexyl]methyl]carbamate?
The InChIKey is XEVCPQGCCKQFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F2N2O2/c1-10(13(16)17)19-12-8-6-5-7-11(12)9-18-14(20)21-15(2,3)4/h10-13,19H,5-9H2,1-4H3,(H,18,20).
What are the key properties of tert-butyl N-[[2-(1,1-difluoropropan-2-ylamino)cyclohexyl]methyl]carbamate?
tert-butyl N-[[2-(1,1-difluoropropan-2-ylamino)cyclohexyl]methyl]carbamate has a molecular weight of 306.40 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-(1,1-difluoropropan-2-ylamino)cyclohexyl]methyl]carbamate is sourced from PubChem (CID 107251421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).