(3-ethylcyclohexyl) 3-amino-2,2,3-trimethylbutanoate

C15H29NO2 — CID 65265922

IUPAC(3-ethylcyclohexyl) 3-amino-2,2,3-trimethylbutanoate
SMILESCCC1CCCC(OC(=O)C(C)(C)C(C)(C)N)C1
InChIInChI=1S/C15H29NO2/c1-6-11-8-7-9-12(10-11)18-13(17)14(2,3)15(4,5)16/h11-12H,6-10,16H2,1-5H3
InChIKeyOSIQGDAQSKMTRM-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.26
Rot. Bonds4

About (3-ethylcyclohexyl) 3-amino-2,2,3-trimethylbutanoate

(3-ethylcyclohexyl) 3-amino-2,2,3-trimethylbutanoate (PubChem CID 65265922) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is (3-ethylcyclohexyl) 3-amino-2,2,3-trimethylbutanoate.

Molecular Properties

Compound Name(3-ethylcyclohexyl) 3-amino-2,2,3-trimethylbutanoate
PubChem CID65265922
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name(3-ethylcyclohexyl) 3-amino-2,2,3-trimethylbutanoate
SMILESCCC1CCCC(OC(=O)C(C)(C)C(C)(C)N)C1
InChIInChI=1S/C15H29NO2/c1-6-11-8-7-9-12(10-11)18-13(17)14(2,3)15(4,5)16/h11-12H,6-10,16H2,1-5H3
InChIKeyOSIQGDAQSKMTRM-UHFFFAOYSA-N
XLogP3.26
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-ethylcyclohexyl) 3-amino-2,2,3-trimethylbutanoate?
The IUPAC name of (3-ethylcyclohexyl) 3-amino-2,2,3-trimethylbutanoate (CID 65265922) is (3-ethylcyclohexyl) 3-amino-2,2,3-trimethylbutanoate.
What is the SMILES notation for (3-ethylcyclohexyl) 3-amino-2,2,3-trimethylbutanoate?
The canonical SMILES for (3-ethylcyclohexyl) 3-amino-2,2,3-trimethylbutanoate is CCC1CCCC(OC(=O)C(C)(C)C(C)(C)N)C1.
What is the InChIKey of (3-ethylcyclohexyl) 3-amino-2,2,3-trimethylbutanoate?
The InChIKey is OSIQGDAQSKMTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-6-11-8-7-9-12(10-11)18-13(17)14(2,3)15(4,5)16/h11-12H,6-10,16H2,1-5H3.
What are the key properties of (3-ethylcyclohexyl) 3-amino-2,2,3-trimethylbutanoate?
(3-ethylcyclohexyl) 3-amino-2,2,3-trimethylbutanoate has a molecular weight of 255.40 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylcyclohexyl) 3-amino-2,2,3-trimethylbutanoate is sourced from PubChem (CID 65265922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).