tert-butyl N-[[2-[2-(2,2-difluoroethoxy)ethylamino]cyclopentyl]methyl]carbamate

C15H28F2N2O3 — CID 103082598

IUPACtert-butyl N-[[2-[2-(2,2-difluoroethoxy)ethylamino]cyclopentyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCCC1NCCOCC(F)F
InChIInChI=1S/C15H28F2N2O3/c1-15(2,3)22-14(20)19-9-11-5-4-6-12(11)18-7-8-21-10-13(16)17/h11-13,18H,4-10H2,1-3H3,(H,19,20)
InChIKeyUJYJAEPGXASFSR-UHFFFAOYSA-N
MW322.40 g/mol
LogP2.55
Rot. Bonds8

About tert-butyl N-[[2-[2-(2,2-difluoroethoxy)ethylamino]cyclopentyl]methyl]carbamate

tert-butyl N-[[2-[2-(2,2-difluoroethoxy)ethylamino]cyclopentyl]methyl]carbamate (PubChem CID 103082598) has the molecular formula C15H28F2N2O3 and a molecular weight of 322.40 g/mol. Its IUPAC name is tert-butyl N-[[2-[2-(2,2-difluoroethoxy)ethylamino]cyclopentyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-[2-(2,2-difluoroethoxy)ethylamino]cyclopentyl]methyl]carbamate
PubChem CID103082598
Molecular FormulaC15H28F2N2O3
Molecular Weight322.40 g/mol
Exact Mass322.21
IUPAC Nametert-butyl N-[[2-[2-(2,2-difluoroethoxy)ethylamino]cyclopentyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCCC1NCCOCC(F)F
InChIInChI=1S/C15H28F2N2O3/c1-15(2,3)22-14(20)19-9-11-5-4-6-12(11)18-7-8-21-10-13(16)17/h11-13,18H,4-10H2,1-3H3,(H,19,20)
InChIKeyUJYJAEPGXASFSR-UHFFFAOYSA-N
XLogP2.55
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(1S)-3,3,3-trifluoro-1-[(3S)-pyrrolidin-3-yl]propyl]carbamate
CID 141257537
tert-butyl N-[[2-(3,3,3-trifluoropropylamino)cyclopentyl]methyl]carbamate
CID 65834943
tert-butyl N-[[2-(2,2,2-trifluoroethylamino)cyclopentyl]methyl]carbamate
CID 65839758
tert-butyl N-[2-(difluoromethyl)cyclopentyl]carbamate
CID 71756479
tert-butyl N-[[2-(2,2,2-trifluoroethoxyamino)cyclopentyl]methyl]carbamate
CID 82711430
tert-butyl N-[(1R,2S)-2-(difluoromethyl)cyclopentyl]carbamate
CID 96581675
tert-butyl N-[(1S,2S)-2-(difluoromethyl)cyclopentyl]carbamate
CID 96581676
tert-butyl N-[(1R,2R)-2-(difluoromethyl)cyclopentyl]carbamate
CID 96581677
tert-butyl N-[(1S,2R)-2-(difluoromethyl)cyclopentyl]carbamate
CID 96581678
Tert-butyl 3-[1-[2-(2,2-difluoroethoxy)ethylamino]ethyl]piperidine-1-carboxylate
CID 102978057
tert-butyl N-[[2-[2-(2,2-difluoroethoxy)ethylamino]cyclohexyl]methyl]carbamate
CID 102978141
tert-butyl N-[[2-(2,2,3,3-tetrafluoropropylamino)cyclopentyl]methyl]carbamate
CID 103529339

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-[2-(2,2-difluoroethoxy)ethylamino]cyclopentyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-[2-(2,2-difluoroethoxy)ethylamino]cyclopentyl]methyl]carbamate (CID 103082598) is tert-butyl N-[[2-[2-(2,2-difluoroethoxy)ethylamino]cyclopentyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-[2-(2,2-difluoroethoxy)ethylamino]cyclopentyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-[2-(2,2-difluoroethoxy)ethylamino]cyclopentyl]methyl]carbamate is CC(C)(C)OC(=O)NCC1CCCC1NCCOCC(F)F.
What is the InChIKey of tert-butyl N-[[2-[2-(2,2-difluoroethoxy)ethylamino]cyclopentyl]methyl]carbamate?
The InChIKey is UJYJAEPGXASFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F2N2O3/c1-15(2,3)22-14(20)19-9-11-5-4-6-12(11)18-7-8-21-10-13(16)17/h11-13,18H,4-10H2,1-3H3,(H,19,20).
What are the key properties of tert-butyl N-[[2-[2-(2,2-difluoroethoxy)ethylamino]cyclopentyl]methyl]carbamate?
tert-butyl N-[[2-[2-(2,2-difluoroethoxy)ethylamino]cyclopentyl]methyl]carbamate has a molecular weight of 322.40 g/mol, XLogP of 2.55, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-[2-(2,2-difluoroethoxy)ethylamino]cyclopentyl]methyl]carbamate is sourced from PubChem (CID 103082598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).