tert-butyl 4-aminocyclohexane-1-carboxylate

C11H21NO2 — CID 18698345

IUPACtert-butyl 4-aminocyclohexane-1-carboxylate
SMILESCC(C)(C)OC(=O)C1CCC(N)CC1
InChIInChI=1S/C11H21NO2/c1-11(2,3)14-10(13)8-4-6-9(12)7-5-8/h8-9H,4-7,12H2,1-3H3
InChIKeyXDTZRQLZSNTGSM-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.85
Rot. Bonds1

About tert-butyl 4-aminocyclohexane-1-carboxylate

tert-butyl 4-aminocyclohexane-1-carboxylate (PubChem CID 18698345) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is tert-butyl 4-aminocyclohexane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-aminocyclohexane-1-carboxylate
PubChem CID18698345
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Nametert-butyl 4-aminocyclohexane-1-carboxylate
SMILESCC(C)(C)OC(=O)C1CCC(N)CC1
InChIInChI=1S/C11H21NO2/c1-11(2,3)14-10(13)8-4-6-9(12)7-5-8/h8-9H,4-7,12H2,1-3H3
InChIKeyXDTZRQLZSNTGSM-UHFFFAOYSA-N
XLogP1.85
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.85
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?
The IUPAC name of tert-butyl 4-aminocyclohexane-1-carboxylate (CID 18698345) is tert-butyl 4-aminocyclohexane-1-carboxylate.
What is the SMILES notation for tert-butyl 4-aminocyclohexane-1-carboxylate?
The canonical SMILES for tert-butyl 4-aminocyclohexane-1-carboxylate is CC(C)(C)OC(=O)C1CCC(N)CC1.
What is the InChIKey of tert-butyl 4-aminocyclohexane-1-carboxylate?
The InChIKey is XDTZRQLZSNTGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-11(2,3)14-10(13)8-4-6-9(12)7-5-8/h8-9H,4-7,12H2,1-3H3.
What are the key properties of tert-butyl 4-aminocyclohexane-1-carboxylate?
tert-butyl 4-aminocyclohexane-1-carboxylate has a molecular weight of 199.29 g/mol, XLogP of 1.85, 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 is sourced from PubChem (CID 18698345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).