2-methyl-2-[(3,3,5,5-tetramethylcyclohexyl)amino]pentanoic acid

C16H31NO2 — CID 103961391

IUPAC2-methyl-2-[(3,3,5,5-tetramethylcyclohexyl)amino]pentanoic acid
SMILESCCCC(C)(NC1CC(C)(C)CC(C)(C)C1)C(=O)O
InChIInChI=1S/C16H31NO2/c1-7-8-16(6,13(18)19)17-12-9-14(2,3)11-15(4,5)10-12/h12,17H,7-11H2,1-6H3,(H,18,19)
InChIKeyORSWCGSWQLGOFU-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.82
Rot. Bonds5

About 2-methyl-2-[(3,3,5,5-tetramethylcyclohexyl)amino]pentanoic acid

2-methyl-2-[(3,3,5,5-tetramethylcyclohexyl)amino]pentanoic acid (PubChem CID 103961391) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-methyl-2-[(3,3,5,5-tetramethylcyclohexyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(3,3,5,5-tetramethylcyclohexyl)amino]pentanoic acid
PubChem CID103961391
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name2-methyl-2-[(3,3,5,5-tetramethylcyclohexyl)amino]pentanoic acid
SMILESCCCC(C)(NC1CC(C)(C)CC(C)(C)C1)C(=O)O
InChIInChI=1S/C16H31NO2/c1-7-8-16(6,13(18)19)17-12-9-14(2,3)11-15(4,5)10-12/h12,17H,7-11H2,1-6H3,(H,18,19)
InChIKeyORSWCGSWQLGOFU-UHFFFAOYSA-N
XLogP3.82
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(3,3,5,5-tetramethylcyclohexyl)amino]pentanoic acid?
The IUPAC name of 2-methyl-2-[(3,3,5,5-tetramethylcyclohexyl)amino]pentanoic acid (CID 103961391) is 2-methyl-2-[(3,3,5,5-tetramethylcyclohexyl)amino]pentanoic acid.
What is the SMILES notation for 2-methyl-2-[(3,3,5,5-tetramethylcyclohexyl)amino]pentanoic acid?
The canonical SMILES for 2-methyl-2-[(3,3,5,5-tetramethylcyclohexyl)amino]pentanoic acid is CCCC(C)(NC1CC(C)(C)CC(C)(C)C1)C(=O)O.
What is the InChIKey of 2-methyl-2-[(3,3,5,5-tetramethylcyclohexyl)amino]pentanoic acid?
The InChIKey is ORSWCGSWQLGOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-7-8-16(6,13(18)19)17-12-9-14(2,3)11-15(4,5)10-12/h12,17H,7-11H2,1-6H3,(H,18,19).
What are the key properties of 2-methyl-2-[(3,3,5,5-tetramethylcyclohexyl)amino]pentanoic acid?
2-methyl-2-[(3,3,5,5-tetramethylcyclohexyl)amino]pentanoic acid has a molecular weight of 269.43 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(3,3,5,5-tetramethylcyclohexyl)amino]pentanoic acid is sourced from PubChem (CID 103961391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).