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

C13H27ClN2O3 — CID 170912926

IUPACtert-butyl N-[4-(2-aminoethoxy)cyclohexyl]carbamate;hydrochloride
SMILESCC(C)(C)OC(=O)NC1CCC(OCCN)CC1.Cl
InChIInChI=1S/C13H26N2O3.ClH/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);1H
InChIKeyOVFXCKHRTVRBJM-UHFFFAOYSA-N
MW294.82 g/mol
LogP2.22
Rot. Bonds4

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

tert-butyl N-[4-(2-aminoethoxy)cyclohexyl]carbamate;hydrochloride (PubChem CID 170912926) has the molecular formula C13H27ClN2O3 and a molecular weight of 294.82 g/mol. Its IUPAC name is tert-butyl N-[4-(2-aminoethoxy)cyclohexyl]carbamate;hydrochloride.

Molecular Properties

Compound Nametert-butyl N-[4-(2-aminoethoxy)cyclohexyl]carbamate;hydrochloride
PubChem CID170912926
Molecular FormulaC13H27ClN2O3
Molecular Weight294.82 g/mol
Exact Mass294.17
IUPAC Nametert-butyl N-[4-(2-aminoethoxy)cyclohexyl]carbamate;hydrochloride
SMILESCC(C)(C)OC(=O)NC1CCC(OCCN)CC1.Cl
InChIInChI=1S/C13H26N2O3.ClH/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);1H
InChIKeyOVFXCKHRTVRBJM-UHFFFAOYSA-N
XLogP2.22
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.82
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(2-aminoethoxy)cyclohexyl]carbamate;hydrochloride?
The IUPAC name of tert-butyl N-[4-(2-aminoethoxy)cyclohexyl]carbamate;hydrochloride (CID 170912926) is tert-butyl N-[4-(2-aminoethoxy)cyclohexyl]carbamate;hydrochloride.
What is the SMILES notation for tert-butyl N-[4-(2-aminoethoxy)cyclohexyl]carbamate;hydrochloride?
The canonical SMILES for tert-butyl N-[4-(2-aminoethoxy)cyclohexyl]carbamate;hydrochloride is CC(C)(C)OC(=O)NC1CCC(OCCN)CC1.Cl.
What is the InChIKey of tert-butyl N-[4-(2-aminoethoxy)cyclohexyl]carbamate;hydrochloride?
The InChIKey is OVFXCKHRTVRBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3.ClH/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);1H.
What are the key properties of tert-butyl N-[4-(2-aminoethoxy)cyclohexyl]carbamate;hydrochloride?
tert-butyl N-[4-(2-aminoethoxy)cyclohexyl]carbamate;hydrochloride has a molecular weight of 294.82 g/mol, XLogP of 2.22, 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;hydrochloride is sourced from PubChem (CID 170912926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).