tert-butyl 1-(aminomethyl)cyclohexane-1-carboxylate

C12H23NO2 — CID 53407161

IUPACtert-butyl 1-(aminomethyl)cyclohexane-1-carboxylate
SMILESCC(C)(C)OC(=O)C1(CN)CCCCC1
InChIInChI=1S/C12H23NO2/c1-11(2,3)15-10(14)12(9-13)7-5-4-6-8-12/h4-9,13H2,1-3H3
InChIKeyANWILIYBQWXPIB-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.24
Rot. Bonds2

About tert-butyl 1-(aminomethyl)cyclohexane-1-carboxylate

tert-butyl 1-(aminomethyl)cyclohexane-1-carboxylate (PubChem CID 53407161) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is tert-butyl 1-(aminomethyl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-(aminomethyl)cyclohexane-1-carboxylate
PubChem CID53407161
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Nametert-butyl 1-(aminomethyl)cyclohexane-1-carboxylate
SMILESCC(C)(C)OC(=O)C1(CN)CCCCC1
InChIInChI=1S/C12H23NO2/c1-11(2,3)15-10(14)12(9-13)7-5-4-6-8-12/h4-9,13H2,1-3H3
InChIKeyANWILIYBQWXPIB-UHFFFAOYSA-N
XLogP2.24
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-(aminomethyl)cyclohexane-1-carboxylate?
The IUPAC name of tert-butyl 1-(aminomethyl)cyclohexane-1-carboxylate (CID 53407161) is tert-butyl 1-(aminomethyl)cyclohexane-1-carboxylate.
What is the SMILES notation for tert-butyl 1-(aminomethyl)cyclohexane-1-carboxylate?
The canonical SMILES for tert-butyl 1-(aminomethyl)cyclohexane-1-carboxylate is CC(C)(C)OC(=O)C1(CN)CCCCC1.
What is the InChIKey of tert-butyl 1-(aminomethyl)cyclohexane-1-carboxylate?
The InChIKey is ANWILIYBQWXPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-11(2,3)15-10(14)12(9-13)7-5-4-6-8-12/h4-9,13H2,1-3H3.
What are the key properties of tert-butyl 1-(aminomethyl)cyclohexane-1-carboxylate?
tert-butyl 1-(aminomethyl)cyclohexane-1-carboxylate has a molecular weight of 213.32 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-(aminomethyl)cyclohexane-1-carboxylate is sourced from PubChem (CID 53407161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).