(2-methylcyclohexyl) 1-(aminomethyl)cyclobutane-1-carboxylate

C13H23NO2 — CID 115446210

IUPAC(2-methylcyclohexyl) 1-(aminomethyl)cyclobutane-1-carboxylate
SMILESCC1CCCCC1OC(=O)C1(CN)CCC1
InChIInChI=1S/C13H23NO2/c1-10-5-2-3-6-11(10)16-12(15)13(9-14)7-4-8-13/h10-11H,2-9,14H2,1H3
InChIKeyBCJVGXHXKBPUHW-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.24
Rot. Bonds3

About (2-methylcyclohexyl) 1-(aminomethyl)cyclobutane-1-carboxylate

(2-methylcyclohexyl) 1-(aminomethyl)cyclobutane-1-carboxylate (PubChem CID 115446210) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is (2-methylcyclohexyl) 1-(aminomethyl)cyclobutane-1-carboxylate.

Molecular Properties

Compound Name(2-methylcyclohexyl) 1-(aminomethyl)cyclobutane-1-carboxylate
PubChem CID115446210
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name(2-methylcyclohexyl) 1-(aminomethyl)cyclobutane-1-carboxylate
SMILESCC1CCCCC1OC(=O)C1(CN)CCC1
InChIInChI=1S/C13H23NO2/c1-10-5-2-3-6-11(10)16-12(15)13(9-14)7-4-8-13/h10-11H,2-9,14H2,1H3
InChIKeyBCJVGXHXKBPUHW-UHFFFAOYSA-N
XLogP2.24
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methylcyclohexyl) 1-(aminomethyl)cyclobutane-1-carboxylate?
The IUPAC name of (2-methylcyclohexyl) 1-(aminomethyl)cyclobutane-1-carboxylate (CID 115446210) is (2-methylcyclohexyl) 1-(aminomethyl)cyclobutane-1-carboxylate.
What is the SMILES notation for (2-methylcyclohexyl) 1-(aminomethyl)cyclobutane-1-carboxylate?
The canonical SMILES for (2-methylcyclohexyl) 1-(aminomethyl)cyclobutane-1-carboxylate is CC1CCCCC1OC(=O)C1(CN)CCC1.
What is the InChIKey of (2-methylcyclohexyl) 1-(aminomethyl)cyclobutane-1-carboxylate?
The InChIKey is BCJVGXHXKBPUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-10-5-2-3-6-11(10)16-12(15)13(9-14)7-4-8-13/h10-11H,2-9,14H2,1H3.
What are the key properties of (2-methylcyclohexyl) 1-(aminomethyl)cyclobutane-1-carboxylate?
(2-methylcyclohexyl) 1-(aminomethyl)cyclobutane-1-carboxylate has a molecular weight of 225.33 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylcyclohexyl) 1-(aminomethyl)cyclobutane-1-carboxylate is sourced from PubChem (CID 115446210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).