tert-butyl 4-aminocyclohexane-1-carboxylate;hydrochloride

C11H22ClNO2 — CID 67858082

IUPACtert-butyl 4-aminocyclohexane-1-carboxylate;hydrochloride
SMILESCC(C)(C)OC(=O)C1CCC(N)CC1.Cl
InChIInChI=1S/C11H21NO2.ClH/c1-11(2,3)14-10(13)8-4-6-9(12)7-5-8;/h8-9H,4-7,12H2,1-3H3;1H
InChIKeyLIXGZKPKSLVZRP-UHFFFAOYSA-N
MW235.75 g/mol
LogP2.27
Rot. Bonds1

About tert-butyl 4-aminocyclohexane-1-carboxylate;hydrochloride

tert-butyl 4-aminocyclohexane-1-carboxylate;hydrochloride (PubChem CID 67858082) has the molecular formula C11H22ClNO2 and a molecular weight of 235.75 g/mol. Its IUPAC name is tert-butyl 4-aminocyclohexane-1-carboxylate;hydrochloride.

Molecular Properties

Compound Nametert-butyl 4-aminocyclohexane-1-carboxylate;hydrochloride
PubChem CID67858082
Molecular FormulaC11H22ClNO2
Molecular Weight235.75 g/mol
Exact Mass235.13
IUPAC Nametert-butyl 4-aminocyclohexane-1-carboxylate;hydrochloride
SMILESCC(C)(C)OC(=O)C1CCC(N)CC1.Cl
InChIInChI=1S/C11H21NO2.ClH/c1-11(2,3)14-10(13)8-4-6-9(12)7-5-8;/h8-9H,4-7,12H2,1-3H3;1H
InChIKeyLIXGZKPKSLVZRP-UHFFFAOYSA-N
XLogP2.27
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.75
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-aminocyclohexane-1-carboxylate;hydrochloride?
The IUPAC name of tert-butyl 4-aminocyclohexane-1-carboxylate;hydrochloride (CID 67858082) is tert-butyl 4-aminocyclohexane-1-carboxylate;hydrochloride.
What is the SMILES notation for tert-butyl 4-aminocyclohexane-1-carboxylate;hydrochloride?
The canonical SMILES for tert-butyl 4-aminocyclohexane-1-carboxylate;hydrochloride is CC(C)(C)OC(=O)C1CCC(N)CC1.Cl.
What is the InChIKey of tert-butyl 4-aminocyclohexane-1-carboxylate;hydrochloride?
The InChIKey is LIXGZKPKSLVZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2.ClH/c1-11(2,3)14-10(13)8-4-6-9(12)7-5-8;/h8-9H,4-7,12H2,1-3H3;1H.
What are the key properties of tert-butyl 4-aminocyclohexane-1-carboxylate;hydrochloride?
tert-butyl 4-aminocyclohexane-1-carboxylate;hydrochloride has a molecular weight of 235.75 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-aminocyclohexane-1-carboxylate;hydrochloride is sourced from PubChem (CID 67858082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).