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

C14H25NO2 — CID 113311275

IUPAC(2-ethylcyclohexyl) 1-(aminomethyl)cyclobutane-1-carboxylate
SMILESCCC1CCCCC1OC(=O)C1(CN)CCC1
InChIInChI=1S/C14H25NO2/c1-2-11-6-3-4-7-12(11)17-13(16)14(10-15)8-5-9-14/h11-12H,2-10,15H2,1H3
InChIKeySCEDDMHAGJRPRD-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.63
Rot. Bonds4

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

(2-ethylcyclohexyl) 1-(aminomethyl)cyclobutane-1-carboxylate (PubChem CID 113311275) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is (2-ethylcyclohexyl) 1-(aminomethyl)cyclobutane-1-carboxylate.

Molecular Properties

Compound Name(2-ethylcyclohexyl) 1-(aminomethyl)cyclobutane-1-carboxylate
PubChem CID113311275
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name(2-ethylcyclohexyl) 1-(aminomethyl)cyclobutane-1-carboxylate
SMILESCCC1CCCCC1OC(=O)C1(CN)CCC1
InChIInChI=1S/C14H25NO2/c1-2-11-6-3-4-7-12(11)17-13(16)14(10-15)8-5-9-14/h11-12H,2-10,15H2,1H3
InChIKeySCEDDMHAGJRPRD-UHFFFAOYSA-N
XLogP2.63
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-ethylcyclohexyl) 1-(aminomethyl)cyclobutane-1-carboxylate?
The IUPAC name of (2-ethylcyclohexyl) 1-(aminomethyl)cyclobutane-1-carboxylate (CID 113311275) is (2-ethylcyclohexyl) 1-(aminomethyl)cyclobutane-1-carboxylate.
What is the SMILES notation for (2-ethylcyclohexyl) 1-(aminomethyl)cyclobutane-1-carboxylate?
The canonical SMILES for (2-ethylcyclohexyl) 1-(aminomethyl)cyclobutane-1-carboxylate is CCC1CCCCC1OC(=O)C1(CN)CCC1.
What is the InChIKey of (2-ethylcyclohexyl) 1-(aminomethyl)cyclobutane-1-carboxylate?
The InChIKey is SCEDDMHAGJRPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-2-11-6-3-4-7-12(11)17-13(16)14(10-15)8-5-9-14/h11-12H,2-10,15H2,1H3.
What are the key properties of (2-ethylcyclohexyl) 1-(aminomethyl)cyclobutane-1-carboxylate?
(2-ethylcyclohexyl) 1-(aminomethyl)cyclobutane-1-carboxylate has a molecular weight of 239.36 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylcyclohexyl) 1-(aminomethyl)cyclobutane-1-carboxylate is sourced from PubChem (CID 113311275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).