(4,4-dimethylcyclohexyl) 4-amino-4-methylpentanoate

C14H27NO2 — CID 114341464

IUPAC(4,4-dimethylcyclohexyl) 4-amino-4-methylpentanoate
SMILESCC(C)(N)CCC(=O)OC1CCC(C)(C)CC1
InChIInChI=1S/C14H27NO2/c1-13(2)8-5-11(6-9-13)17-12(16)7-10-14(3,4)15/h11H,5-10,15H2,1-4H3
InChIKeyCEELYZAEFUSHRN-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.02
Rot. Bonds4

About (4,4-dimethylcyclohexyl) 4-amino-4-methylpentanoate

(4,4-dimethylcyclohexyl) 4-amino-4-methylpentanoate (PubChem CID 114341464) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is (4,4-dimethylcyclohexyl) 4-amino-4-methylpentanoate.

Molecular Properties

Compound Name(4,4-dimethylcyclohexyl) 4-amino-4-methylpentanoate
PubChem CID114341464
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name(4,4-dimethylcyclohexyl) 4-amino-4-methylpentanoate
SMILESCC(C)(N)CCC(=O)OC1CCC(C)(C)CC1
InChIInChI=1S/C14H27NO2/c1-13(2)8-5-11(6-9-13)17-12(16)7-10-14(3,4)15/h11H,5-10,15H2,1-4H3
InChIKeyCEELYZAEFUSHRN-UHFFFAOYSA-N
XLogP3.02
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4,4-dimethylcyclohexyl) 2-hydroxyacetate
CID 131154209
(4,4-dimethylcyclohexyl) 4-amino-3-hydroxy-3-methylbutanoate
CID 114341456
(4,4-dimethylcyclohexyl) 3-(cyclopropylamino)propanoate
CID 114341373
(4,4-dimethylcyclohexyl) 3-amino-5,5-dimethylhexanoate
CID 114341466
(4,4-dimethylcyclohexyl) 6-amino-4-methylhexanoate
CID 114341414
(4,4-dimethylcyclohexyl) 4-(2-aminoethyl)heptanoate
CID 114341582
(4,4-dimethylcyclohexyl) 2-chloro-2-methylpropanoate
CID 164738028
cycloheptyl 6-amino-4,4-dimethylhexanoate
CID 65285477
(4,4-dimethylcyclohexyl) 2-methyl-2-(methylamino)propanoate
CID 114341563
(4,4-dimethylcyclohexyl) 3-amino-2-hydroxypropanoate
CID 114341418
(4,4-dimethylcyclohexyl) 4-amino-5-methylthiophene-2-carboxylate
CID 114341790
(4,4-dimethylcyclohexyl) 2-amino-3-methylpentanoate
CID 114341590

Frequently Asked Questions

What is the IUPAC name of (4,4-dimethylcyclohexyl) 4-amino-4-methylpentanoate?
The IUPAC name of (4,4-dimethylcyclohexyl) 4-amino-4-methylpentanoate (CID 114341464) is (4,4-dimethylcyclohexyl) 4-amino-4-methylpentanoate.
What is the SMILES notation for (4,4-dimethylcyclohexyl) 4-amino-4-methylpentanoate?
The canonical SMILES for (4,4-dimethylcyclohexyl) 4-amino-4-methylpentanoate is CC(C)(N)CCC(=O)OC1CCC(C)(C)CC1.
What is the InChIKey of (4,4-dimethylcyclohexyl) 4-amino-4-methylpentanoate?
The InChIKey is CEELYZAEFUSHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-13(2)8-5-11(6-9-13)17-12(16)7-10-14(3,4)15/h11H,5-10,15H2,1-4H3.
What are the key properties of (4,4-dimethylcyclohexyl) 4-amino-4-methylpentanoate?
(4,4-dimethylcyclohexyl) 4-amino-4-methylpentanoate has a molecular weight of 241.37 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dimethylcyclohexyl) 4-amino-4-methylpentanoate is sourced from PubChem (CID 114341464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).