(3,3,5-trimethylcyclohexyl) 3-amino-2,2,3-trimethylbutanoate

C16H31NO2 — CID 65266063

IUPAC(3,3,5-trimethylcyclohexyl) 3-amino-2,2,3-trimethylbutanoate
SMILESCC1CC(OC(=O)C(C)(C)C(C)(C)N)CC(C)(C)C1
InChIInChI=1S/C16H31NO2/c1-11-8-12(10-14(2,3)9-11)19-13(18)15(4,5)16(6,7)17/h11-12H,8-10,17H2,1-7H3
InChIKeyMUUZRIFAPYTHBA-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.51
Rot. Bonds3

About (3,3,5-trimethylcyclohexyl) 3-amino-2,2,3-trimethylbutanoate

(3,3,5-trimethylcyclohexyl) 3-amino-2,2,3-trimethylbutanoate (PubChem CID 65266063) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is (3,3,5-trimethylcyclohexyl) 3-amino-2,2,3-trimethylbutanoate.

Molecular Properties

Compound Name(3,3,5-trimethylcyclohexyl) 3-amino-2,2,3-trimethylbutanoate
PubChem CID65266063
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name(3,3,5-trimethylcyclohexyl) 3-amino-2,2,3-trimethylbutanoate
SMILESCC1CC(OC(=O)C(C)(C)C(C)(C)N)CC(C)(C)C1
InChIInChI=1S/C16H31NO2/c1-11-8-12(10-14(2,3)9-11)19-13(18)15(4,5)16(6,7)17/h11-12H,8-10,17H2,1-7H3
InChIKeyMUUZRIFAPYTHBA-UHFFFAOYSA-N
XLogP3.51
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,3,5-trimethylcyclohexyl) 3-amino-2,2,3-trimethylbutanoate?
The IUPAC name of (3,3,5-trimethylcyclohexyl) 3-amino-2,2,3-trimethylbutanoate (CID 65266063) is (3,3,5-trimethylcyclohexyl) 3-amino-2,2,3-trimethylbutanoate.
What is the SMILES notation for (3,3,5-trimethylcyclohexyl) 3-amino-2,2,3-trimethylbutanoate?
The canonical SMILES for (3,3,5-trimethylcyclohexyl) 3-amino-2,2,3-trimethylbutanoate is CC1CC(OC(=O)C(C)(C)C(C)(C)N)CC(C)(C)C1.
What is the InChIKey of (3,3,5-trimethylcyclohexyl) 3-amino-2,2,3-trimethylbutanoate?
The InChIKey is MUUZRIFAPYTHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-11-8-12(10-14(2,3)9-11)19-13(18)15(4,5)16(6,7)17/h11-12H,8-10,17H2,1-7H3.
What are the key properties of (3,3,5-trimethylcyclohexyl) 3-amino-2,2,3-trimethylbutanoate?
(3,3,5-trimethylcyclohexyl) 3-amino-2,2,3-trimethylbutanoate has a molecular weight of 269.43 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3,5-trimethylcyclohexyl) 3-amino-2,2,3-trimethylbutanoate is sourced from PubChem (CID 65266063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).