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

C14H27NO2 — CID 65266160

IUPAC(3-methylcyclohexyl) 3-amino-2,2,3-trimethylbutanoate
SMILESCC1CCCC(OC(=O)C(C)(C)C(C)(C)N)C1
InChIInChI=1S/C14H27NO2/c1-10-7-6-8-11(9-10)17-12(16)13(2,3)14(4,5)15/h10-11H,6-9,15H2,1-5H3
InChIKeyWNINFLOJTCQRRT-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.87
Rot. Bonds3

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

(3-methylcyclohexyl) 3-amino-2,2,3-trimethylbutanoate (PubChem CID 65266160) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is (3-methylcyclohexyl) 3-amino-2,2,3-trimethylbutanoate.

Molecular Properties

Compound Name(3-methylcyclohexyl) 3-amino-2,2,3-trimethylbutanoate
PubChem CID65266160
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name(3-methylcyclohexyl) 3-amino-2,2,3-trimethylbutanoate
SMILESCC1CCCC(OC(=O)C(C)(C)C(C)(C)N)C1
InChIInChI=1S/C14H27NO2/c1-10-7-6-8-11(9-10)17-12(16)13(2,3)14(4,5)15/h10-11H,6-9,15H2,1-5H3
InChIKeyWNINFLOJTCQRRT-UHFFFAOYSA-N
XLogP2.87
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-methylcyclohexyl) 3-amino-2,2,3-trimethylbutanoate?
The IUPAC name of (3-methylcyclohexyl) 3-amino-2,2,3-trimethylbutanoate (CID 65266160) is (3-methylcyclohexyl) 3-amino-2,2,3-trimethylbutanoate.
What is the SMILES notation for (3-methylcyclohexyl) 3-amino-2,2,3-trimethylbutanoate?
The canonical SMILES for (3-methylcyclohexyl) 3-amino-2,2,3-trimethylbutanoate is CC1CCCC(OC(=O)C(C)(C)C(C)(C)N)C1.
What is the InChIKey of (3-methylcyclohexyl) 3-amino-2,2,3-trimethylbutanoate?
The InChIKey is WNINFLOJTCQRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-10-7-6-8-11(9-10)17-12(16)13(2,3)14(4,5)15/h10-11H,6-9,15H2,1-5H3.
What are the key properties of (3-methylcyclohexyl) 3-amino-2,2,3-trimethylbutanoate?
(3-methylcyclohexyl) 3-amino-2,2,3-trimethylbutanoate has a molecular weight of 241.37 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylcyclohexyl) 3-amino-2,2,3-trimethylbutanoate is sourced from PubChem (CID 65266160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).