(3,5-dimethylcyclohexyl) 2-(butan-2-ylamino)acetate

C14H27NO2 — CID 64729440

IUPAC(3,5-dimethylcyclohexyl) 2-(butan-2-ylamino)acetate
SMILESCCC(C)NCC(=O)OC1CC(C)CC(C)C1
InChIInChI=1S/C14H27NO2/c1-5-12(4)15-9-14(16)17-13-7-10(2)6-11(3)8-13/h10-13,15H,5-9H2,1-4H3
InChIKeyZTLFDWYFWVTSMM-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.74
Rot. Bonds5

About (3,5-dimethylcyclohexyl) 2-(butan-2-ylamino)acetate

(3,5-dimethylcyclohexyl) 2-(butan-2-ylamino)acetate (PubChem CID 64729440) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is (3,5-dimethylcyclohexyl) 2-(butan-2-ylamino)acetate.

Molecular Properties

Compound Name(3,5-dimethylcyclohexyl) 2-(butan-2-ylamino)acetate
PubChem CID64729440
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name(3,5-dimethylcyclohexyl) 2-(butan-2-ylamino)acetate
SMILESCCC(C)NCC(=O)OC1CC(C)CC(C)C1
InChIInChI=1S/C14H27NO2/c1-5-12(4)15-9-14(16)17-13-7-10(2)6-11(3)8-13/h10-13,15H,5-9H2,1-4H3
InChIKeyZTLFDWYFWVTSMM-UHFFFAOYSA-N
XLogP2.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylcyclohexyl) 2-(butan-2-ylamino)acetate?
The IUPAC name of (3,5-dimethylcyclohexyl) 2-(butan-2-ylamino)acetate (CID 64729440) is (3,5-dimethylcyclohexyl) 2-(butan-2-ylamino)acetate.
What is the SMILES notation for (3,5-dimethylcyclohexyl) 2-(butan-2-ylamino)acetate?
The canonical SMILES for (3,5-dimethylcyclohexyl) 2-(butan-2-ylamino)acetate is CCC(C)NCC(=O)OC1CC(C)CC(C)C1.
What is the InChIKey of (3,5-dimethylcyclohexyl) 2-(butan-2-ylamino)acetate?
The InChIKey is ZTLFDWYFWVTSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-5-12(4)15-9-14(16)17-13-7-10(2)6-11(3)8-13/h10-13,15H,5-9H2,1-4H3.
What are the key properties of (3,5-dimethylcyclohexyl) 2-(butan-2-ylamino)acetate?
(3,5-dimethylcyclohexyl) 2-(butan-2-ylamino)acetate has a molecular weight of 241.37 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylcyclohexyl) 2-(butan-2-ylamino)acetate is sourced from PubChem (CID 64729440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).