tert-butyl N-[4-(1,1-difluoropropan-2-ylamino)cyclohexyl]-N-methylcarbamate

C15H28F2N2O2 — CID 107255820

IUPACtert-butyl N-[4-(1,1-difluoropropan-2-ylamino)cyclohexyl]-N-methylcarbamate
SMILESCC(NC1CCC(N(C)C(=O)OC(C)(C)C)CC1)C(F)F
InChIInChI=1S/C15H28F2N2O2/c1-10(13(16)17)18-11-6-8-12(9-7-11)19(5)14(20)21-15(2,3)4/h10-13,18H,6-9H2,1-5H3
InChIKeyVNTKXYVYONAKBI-UHFFFAOYSA-N
MW306.40 g/mol
LogP3.41
Rot. Bonds4

About tert-butyl N-[4-(1,1-difluoropropan-2-ylamino)cyclohexyl]-N-methylcarbamate

tert-butyl N-[4-(1,1-difluoropropan-2-ylamino)cyclohexyl]-N-methylcarbamate (PubChem CID 107255820) has the molecular formula C15H28F2N2O2 and a molecular weight of 306.40 g/mol. Its IUPAC name is tert-butyl N-[4-(1,1-difluoropropan-2-ylamino)cyclohexyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(1,1-difluoropropan-2-ylamino)cyclohexyl]-N-methylcarbamate
PubChem CID107255820
Molecular FormulaC15H28F2N2O2
Molecular Weight306.40 g/mol
Exact Mass306.21
IUPAC Nametert-butyl N-[4-(1,1-difluoropropan-2-ylamino)cyclohexyl]-N-methylcarbamate
SMILESCC(NC1CCC(N(C)C(=O)OC(C)(C)C)CC1)C(F)F
InChIInChI=1S/C15H28F2N2O2/c1-10(13(16)17)18-11-6-8-12(9-7-11)19(5)14(20)21-15(2,3)4/h10-13,18H,6-9H2,1-5H3
InChIKeyVNTKXYVYONAKBI-UHFFFAOYSA-N
XLogP3.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-methyl-N-[4-(methylamino)cyclohexyl]carbamate;hydrochloride
CID 18397394
tert-butyl N-methyl-N-[4-(2-methylpropylamino)cyclohexyl]carbamate
CID 107255742
tert-butyl 4-(1,1-difluoropropan-2-ylamino)piperidine-1-carboxylate
CID 107241659
tert-butyl N-[4-[(4-aminocyclohexyl)amino]cyclohexyl]-N-methylcarbamate
CID 107255751
tert-butyl N-methyl-N-[4-[(3-methylcyclobutyl)amino]cyclohexyl]carbamate
CID 107255790
tert-butyl N-methyl-N-[4-[(3-methylcyclopentyl)amino]cyclohexyl]carbamate
CID 107255892
methyl 4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexane-1-carboxylate
CID 23062642
tert-butyl N-[4-[(3-methoxycyclobutyl)amino]cyclohexyl]-N-methylcarbamate
CID 107255901
tert-butyl N-(4-carbamoylcyclohexyl)-N-methylcarbamate
CID 91554229
methyl (2R)-2-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidin-1-yl]propanoate
CID 95299629
tert-butyl N-[4-[[2-(hydroxymethyl)-2-methylbutyl]amino]cyclohexyl]-N-methylcarbamate
CID 107255756
tert-butyl 4-[methoxycarbonyl(methyl)amino]piperidine-1-carboxylate
CID 18187514

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(1,1-difluoropropan-2-ylamino)cyclohexyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[4-(1,1-difluoropropan-2-ylamino)cyclohexyl]-N-methylcarbamate (CID 107255820) is tert-butyl N-[4-(1,1-difluoropropan-2-ylamino)cyclohexyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[4-(1,1-difluoropropan-2-ylamino)cyclohexyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[4-(1,1-difluoropropan-2-ylamino)cyclohexyl]-N-methylcarbamate is CC(NC1CCC(N(C)C(=O)OC(C)(C)C)CC1)C(F)F.
What is the InChIKey of tert-butyl N-[4-(1,1-difluoropropan-2-ylamino)cyclohexyl]-N-methylcarbamate?
The InChIKey is VNTKXYVYONAKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F2N2O2/c1-10(13(16)17)18-11-6-8-12(9-7-11)19(5)14(20)21-15(2,3)4/h10-13,18H,6-9H2,1-5H3.
What are the key properties of tert-butyl N-[4-(1,1-difluoropropan-2-ylamino)cyclohexyl]-N-methylcarbamate?
tert-butyl N-[4-(1,1-difluoropropan-2-ylamino)cyclohexyl]-N-methylcarbamate has a molecular weight of 306.40 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(1,1-difluoropropan-2-ylamino)cyclohexyl]-N-methylcarbamate is sourced from PubChem (CID 107255820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).