tert-butyl N-[2-[(4,4-difluorocyclohexyl)-methylamino]ethyl]carbamate

C14H26F2N2O2 — CID 139389518

IUPACtert-butyl N-[2-[(4,4-difluorocyclohexyl)-methylamino]ethyl]carbamate
SMILESCN(CCNC(=O)OC(C)(C)C)C1CCC(F)(F)CC1
InChIInChI=1S/C14H26F2N2O2/c1-13(2,3)20-12(19)17-9-10-18(4)11-5-7-14(15,16)8-6-11/h11H,5-10H2,1-4H3,(H,17,19)
InChIKeyRVJOYMAQAFSKFB-UHFFFAOYSA-N
MW292.37 g/mol
LogP3.02
Rot. Bonds4

About tert-butyl N-[2-[(4,4-difluorocyclohexyl)-methylamino]ethyl]carbamate

tert-butyl N-[2-[(4,4-difluorocyclohexyl)-methylamino]ethyl]carbamate (PubChem CID 139389518) has the molecular formula C14H26F2N2O2 and a molecular weight of 292.37 g/mol. Its IUPAC name is tert-butyl N-[2-[(4,4-difluorocyclohexyl)-methylamino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(4,4-difluorocyclohexyl)-methylamino]ethyl]carbamate
PubChem CID139389518
Molecular FormulaC14H26F2N2O2
Molecular Weight292.37 g/mol
Exact Mass292.20
IUPAC Nametert-butyl N-[2-[(4,4-difluorocyclohexyl)-methylamino]ethyl]carbamate
SMILESCN(CCNC(=O)OC(C)(C)C)C1CCC(F)(F)CC1
InChIInChI=1S/C14H26F2N2O2/c1-13(2,3)20-12(19)17-9-10-18(4)11-5-7-14(15,16)8-6-11/h11H,5-10H2,1-4H3,(H,17,19)
InChIKeyRVJOYMAQAFSKFB-UHFFFAOYSA-N
XLogP3.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-[acetyl(cyclopropyl)amino]ethyl]carbamate
CID 113052169
tert-butyl 4-[2-[cyclopropyl(methyl)amino]ethylamino]-4-oxobutanoate
CID 106707401
propan-2-yl N-[2-[cyclopropyl(methyl)amino]ethyl]carbamate
CID 116655780
tert-butyl N-[2-[2-hydroxypropyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]ethyl]carbamate
CID 102239667
tert-butyl 2-[2-[cyclopropyl(methyl)amino]ethylamino]acetate
CID 62977597
tert-butyl N-[2-[acetyl(cycloheptyl)amino]ethyl]carbamate
CID 113056745
tert-butyl 2-[2-[cyclopentyl(methyl)amino]ethylamino]acetate
CID 63318559
tert-butyl N-[2-[methoxy(methyl)amino]ethyl]carbamate
CID 123324286
tert-butyl N-[(1S)-1-(4,4-difluorocyclohexyl)-2-hydroxyethyl]carbamate
CID 131744619
tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-piperidin-4-ylcarbamate
CID 90457113
tert-butyl 3-[cyclopropyl(methyl)amino]propanoate
CID 115590859
2-[(4,4-difluorocyclohexyl)-methylamino]acetamide
CID 126787710

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(4,4-difluorocyclohexyl)-methylamino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(4,4-difluorocyclohexyl)-methylamino]ethyl]carbamate (CID 139389518) is tert-butyl N-[2-[(4,4-difluorocyclohexyl)-methylamino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(4,4-difluorocyclohexyl)-methylamino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(4,4-difluorocyclohexyl)-methylamino]ethyl]carbamate is CN(CCNC(=O)OC(C)(C)C)C1CCC(F)(F)CC1.
What is the InChIKey of tert-butyl N-[2-[(4,4-difluorocyclohexyl)-methylamino]ethyl]carbamate?
The InChIKey is RVJOYMAQAFSKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F2N2O2/c1-13(2,3)20-12(19)17-9-10-18(4)11-5-7-14(15,16)8-6-11/h11H,5-10H2,1-4H3,(H,17,19).
What are the key properties of tert-butyl N-[2-[(4,4-difluorocyclohexyl)-methylamino]ethyl]carbamate?
tert-butyl N-[2-[(4,4-difluorocyclohexyl)-methylamino]ethyl]carbamate has a molecular weight of 292.37 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(4,4-difluorocyclohexyl)-methylamino]ethyl]carbamate is sourced from PubChem (CID 139389518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).