methyl 4-amino-4-methylcyclodecane-1-carboxylate

C13H25NO2 — CID 155033061

IUPACmethyl 4-amino-4-methylcyclodecane-1-carboxylate
SMILESCOC(=O)C1CCCCCCC(C)(N)CC1
InChIInChI=1S/C13H25NO2/c1-13(14)9-6-4-3-5-7-11(8-10-13)12(15)16-2/h11H,3-10,14H2,1-2H3
InChIKeyPGHSXOXQMGDXMA-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.63
Rot. Bonds1

About methyl 4-amino-4-methylcyclodecane-1-carboxylate

methyl 4-amino-4-methylcyclodecane-1-carboxylate (PubChem CID 155033061) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is methyl 4-amino-4-methylcyclodecane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-4-methylcyclodecane-1-carboxylate
PubChem CID155033061
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Namemethyl 4-amino-4-methylcyclodecane-1-carboxylate
SMILESCOC(=O)C1CCCCCCC(C)(N)CC1
InChIInChI=1S/C13H25NO2/c1-13(14)9-6-4-3-5-7-11(8-10-13)12(15)16-2/h11H,3-10,14H2,1-2H3
InChIKeyPGHSXOXQMGDXMA-UHFFFAOYSA-N
XLogP2.63
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-4-methylcyclodecane-1-carboxylate?
The IUPAC name of methyl 4-amino-4-methylcyclodecane-1-carboxylate (CID 155033061) is methyl 4-amino-4-methylcyclodecane-1-carboxylate.
What is the SMILES notation for methyl 4-amino-4-methylcyclodecane-1-carboxylate?
The canonical SMILES for methyl 4-amino-4-methylcyclodecane-1-carboxylate is COC(=O)C1CCCCCCC(C)(N)CC1.
What is the InChIKey of methyl 4-amino-4-methylcyclodecane-1-carboxylate?
The InChIKey is PGHSXOXQMGDXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-13(14)9-6-4-3-5-7-11(8-10-13)12(15)16-2/h11H,3-10,14H2,1-2H3.
What are the key properties of methyl 4-amino-4-methylcyclodecane-1-carboxylate?
methyl 4-amino-4-methylcyclodecane-1-carboxylate has a molecular weight of 227.35 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-4-methylcyclodecane-1-carboxylate is sourced from PubChem (CID 155033061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).