tert-butyl N-[3-(2-cyclohexyloxyethylamino)cyclobutyl]carbamate

C17H32N2O3 — CID 103759643

IUPACtert-butyl N-[3-(2-cyclohexyloxyethylamino)cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC(NCCOC2CCCCC2)C1
InChIInChI=1S/C17H32N2O3/c1-17(2,3)22-16(20)19-14-11-13(12-14)18-9-10-21-15-7-5-4-6-8-15/h13-15,18H,4-12H2,1-3H3,(H,19,20)
InChIKeyAKURFKRIUIHHKS-UHFFFAOYSA-N
MW312.45 g/mol
LogP2.98
Rot. Bonds6

About tert-butyl N-[3-(2-cyclohexyloxyethylamino)cyclobutyl]carbamate

tert-butyl N-[3-(2-cyclohexyloxyethylamino)cyclobutyl]carbamate (PubChem CID 103759643) has the molecular formula C17H32N2O3 and a molecular weight of 312.45 g/mol. Its IUPAC name is tert-butyl N-[3-(2-cyclohexyloxyethylamino)cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(2-cyclohexyloxyethylamino)cyclobutyl]carbamate
PubChem CID103759643
Molecular FormulaC17H32N2O3
Molecular Weight312.45 g/mol
Exact Mass312.24
IUPAC Nametert-butyl N-[3-(2-cyclohexyloxyethylamino)cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC(NCCOC2CCCCC2)C1
InChIInChI=1S/C17H32N2O3/c1-17(2,3)22-16(20)19-14-11-13(12-14)18-9-10-21-15-7-5-4-6-8-15/h13-15,18H,4-12H2,1-3H3,(H,19,20)
InChIKeyAKURFKRIUIHHKS-UHFFFAOYSA-N
XLogP2.98
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 52.98
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-[3-(2-propan-2-yloxyethylamino)cyclobutyl]carbamate
CID 104759310
tert-butyl N-[4-[2-(pyrrolidin-3-ylamino)ethoxy]cyclohexyl]carbamate
CID 107252441
tert-butyl N-[2-(cyclododecylamino)ethyl]carbamate
CID 107241352
tert-butyl N-[3-(cyclohexylmethylamino)cyclopentyl]carbamate
CID 79461727
tert-butyl N-[4-[2-(2-methylprop-2-enoxy)ethylamino]cyclohexyl]carbamate
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tert-butyl N-[4-(2-aminoethoxy)cyclohexyl]carbamate
CID 66563857
tert-butyl N-[6-(cyclohexylamino)hexyl]carbamate
CID 10590220
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-[2-(2-cyclohexyloxyethylamino)propyl]carbamate
CID 103389977
N-(2-cyclohexyloxyethyl)cyclohexanamine
CID 62567044
tert-butyl N-[3-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexyl]carbamate
CID 103720230
tert-butyl N-[4-[3-(azetidin-3-ylamino)propoxy]cyclohexyl]carbamate
CID 107252500

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(2-cyclohexyloxyethylamino)cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-(2-cyclohexyloxyethylamino)cyclobutyl]carbamate (CID 103759643) is tert-butyl N-[3-(2-cyclohexyloxyethylamino)cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(2-cyclohexyloxyethylamino)cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(2-cyclohexyloxyethylamino)cyclobutyl]carbamate is CC(C)(C)OC(=O)NC1CC(NCCOC2CCCCC2)C1.
What is the InChIKey of tert-butyl N-[3-(2-cyclohexyloxyethylamino)cyclobutyl]carbamate?
The InChIKey is AKURFKRIUIHHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O3/c1-17(2,3)22-16(20)19-14-11-13(12-14)18-9-10-21-15-7-5-4-6-8-15/h13-15,18H,4-12H2,1-3H3,(H,19,20).
What are the key properties of tert-butyl N-[3-(2-cyclohexyloxyethylamino)cyclobutyl]carbamate?
tert-butyl N-[3-(2-cyclohexyloxyethylamino)cyclobutyl]carbamate has a molecular weight of 312.45 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(2-cyclohexyloxyethylamino)cyclobutyl]carbamate is sourced from PubChem (CID 103759643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).