cyclobutyl 1-(aminomethyl)cyclohexane-1-carboxylate

C12H21NO2 — CID 115436637

IUPACcyclobutyl 1-(aminomethyl)cyclohexane-1-carboxylate
SMILESNCC1(C(=O)OC2CCC2)CCCCC1
InChIInChI=1S/C12H21NO2/c13-9-12(7-2-1-3-8-12)11(14)15-10-5-4-6-10/h10H,1-9,13H2
InChIKeyLGPYQJWJCZFYLI-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.99
Rot. Bonds3

About cyclobutyl 1-(aminomethyl)cyclohexane-1-carboxylate

cyclobutyl 1-(aminomethyl)cyclohexane-1-carboxylate (PubChem CID 115436637) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is cyclobutyl 1-(aminomethyl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namecyclobutyl 1-(aminomethyl)cyclohexane-1-carboxylate
PubChem CID115436637
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Namecyclobutyl 1-(aminomethyl)cyclohexane-1-carboxylate
SMILESNCC1(C(=O)OC2CCC2)CCCCC1
InChIInChI=1S/C12H21NO2/c13-9-12(7-2-1-3-8-12)11(14)15-10-5-4-6-10/h10H,1-9,13H2
InChIKeyLGPYQJWJCZFYLI-UHFFFAOYSA-N
XLogP1.99
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl 1-(aminomethyl)cyclohexane-1-carboxylate?
The IUPAC name of cyclobutyl 1-(aminomethyl)cyclohexane-1-carboxylate (CID 115436637) is cyclobutyl 1-(aminomethyl)cyclohexane-1-carboxylate.
What is the SMILES notation for cyclobutyl 1-(aminomethyl)cyclohexane-1-carboxylate?
The canonical SMILES for cyclobutyl 1-(aminomethyl)cyclohexane-1-carboxylate is NCC1(C(=O)OC2CCC2)CCCCC1.
What is the InChIKey of cyclobutyl 1-(aminomethyl)cyclohexane-1-carboxylate?
The InChIKey is LGPYQJWJCZFYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c13-9-12(7-2-1-3-8-12)11(14)15-10-5-4-6-10/h10H,1-9,13H2.
What are the key properties of cyclobutyl 1-(aminomethyl)cyclohexane-1-carboxylate?
cyclobutyl 1-(aminomethyl)cyclohexane-1-carboxylate has a molecular weight of 211.30 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl 1-(aminomethyl)cyclohexane-1-carboxylate is sourced from PubChem (CID 115436637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).