tert-butyl N-[4-(2-aminoethoxy)cyclohexyl]carbamate

C13H26N2O3 — CID 66563857

IUPACtert-butyl N-[4-(2-aminoethoxy)cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(OCCN)CC1
InChIInChI=1S/C13H26N2O3/c1-13(2,3)18-12(16)15-10-4-6-11(7-5-10)17-9-8-14/h10-11H,4-9,14H2,1-3H3,(H,15,16)
InChIKeyPFQJXVGQJFCUKB-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.80
Rot. Bonds4

About tert-butyl N-[4-(2-aminoethoxy)cyclohexyl]carbamate

tert-butyl N-[4-(2-aminoethoxy)cyclohexyl]carbamate (PubChem CID 66563857) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is tert-butyl N-[4-(2-aminoethoxy)cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(2-aminoethoxy)cyclohexyl]carbamate
PubChem CID66563857
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Nametert-butyl N-[4-(2-aminoethoxy)cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(OCCN)CC1
InChIInChI=1S/C13H26N2O3/c1-13(2,3)18-12(16)15-10-4-6-11(7-5-10)17-9-8-14/h10-11H,4-9,14H2,1-3H3,(H,15,16)
InChIKeyPFQJXVGQJFCUKB-UHFFFAOYSA-N
XLogP1.80
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]oxypropanoic acid
CID 169159895
tert-butyl N-(4-aminooxycyclohexyl)carbamate
CID 22408668
tert-butyl N-[4-[3-(azetidin-3-ylamino)propoxy]cyclohexyl]carbamate
CID 107252500
tert-butyl N-[4-(3-aminopropylamino)cyclohexyl]carbamate
CID 79113684
tert-butyl N-[4-[2-(pyrrolidin-3-ylamino)ethoxy]cyclohexyl]carbamate
CID 107252441
tert-butyl N-[4-(2-methoxyethoxyamino)cyclohexyl]carbamate
CID 82715215
tert-butyl N-(4-aminocyclohexyl)carbamate;dihydrochloride
CID 140801985
[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]azanium
CID 7021549
tert-butyl N-(4-arsanylcyclohexyl)carbamate
CID 173124516
tert-butyl N-[4-(tert-butylamino)cyclohexyl]carbamate
CID 69286066
tert-butyl 3-[2-[2-[4-(2-aminoethoxy)cyclohexyl]oxyethoxy]ethoxy]propanoate
CID 167464617
tert-butyl N-[1-(4-ethoxycyclohexyl)piperidin-4-yl]carbamate
CID 159168644

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(2-aminoethoxy)cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-(2-aminoethoxy)cyclohexyl]carbamate (CID 66563857) is tert-butyl N-[4-(2-aminoethoxy)cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(2-aminoethoxy)cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(2-aminoethoxy)cyclohexyl]carbamate is CC(C)(C)OC(=O)NC1CCC(OCCN)CC1.
What is the InChIKey of tert-butyl N-[4-(2-aminoethoxy)cyclohexyl]carbamate?
The InChIKey is PFQJXVGQJFCUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-13(2,3)18-12(16)15-10-4-6-11(7-5-10)17-9-8-14/h10-11H,4-9,14H2,1-3H3,(H,15,16).
What are the key properties of tert-butyl N-[4-(2-aminoethoxy)cyclohexyl]carbamate?
tert-butyl N-[4-(2-aminoethoxy)cyclohexyl]carbamate has a molecular weight of 258.36 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(2-aminoethoxy)cyclohexyl]carbamate is sourced from PubChem (CID 66563857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).