methyl 2-(aminomethyl)-2,6-dimethylheptanoate

C11H23NO2 — CID 106487907

IUPACmethyl 2-(aminomethyl)-2,6-dimethylheptanoate
SMILESCOC(=O)C(C)(CN)CCCC(C)C
InChIInChI=1S/C11H23NO2/c1-9(2)6-5-7-11(3,8-12)10(13)14-4/h9H,5-8,12H2,1-4H3
InChIKeySKRRHWDFFNFADP-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.95
Rot. Bonds6

About methyl 2-(aminomethyl)-2,6-dimethylheptanoate

methyl 2-(aminomethyl)-2,6-dimethylheptanoate (PubChem CID 106487907) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is methyl 2-(aminomethyl)-2,6-dimethylheptanoate.

Molecular Properties

Compound Namemethyl 2-(aminomethyl)-2,6-dimethylheptanoate
PubChem CID106487907
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Namemethyl 2-(aminomethyl)-2,6-dimethylheptanoate
SMILESCOC(=O)C(C)(CN)CCCC(C)C
InChIInChI=1S/C11H23NO2/c1-9(2)6-5-7-11(3,8-12)10(13)14-4/h9H,5-8,12H2,1-4H3
InChIKeySKRRHWDFFNFADP-UHFFFAOYSA-N
XLogP1.95
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-(aminomethyl)-2,6-dimethylheptanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dimethyl 2-(3-methylbutyl)-2-(4-methylpentyl)propanedioate
CID 139692191
dimethyl 2-(4-methylpentyl)-2-(2-methylpropyl)propanedioate
CID 139692173
methyl 2-(aminomethyl)-2-methyl-5-(2,2,2-trifluoroethoxy)pentanoate
CID 106487872
methyl 2,2-dimethyl-3-(4-methylpentoxy)propanoate
CID 79623214
methyl 2-(aminomethyl)-2-methyl-4-propoxybutanoate
CID 106487837
methyl 6-methyl-2-(3-methylbutyl)heptanoate
CID 134250687
methyl 8-methyl-2-(6-methylheptyl)-2-methylsulfanylnonanoate
CID 21279162
methyl 2-hydroxy-2-methyl-3-(4-methylpentylamino)propanoate
CID 104644089
methyl 2-amino-2-methyl-4-(3-methylbutylsulfanyl)butanoate
CID 107756142
methyl 2,2-dimethyl-3-[methyl(4-methylpentyl)amino]-3-oxopropanoate
CID 115174897
dimethyl 2,2-bis(3-aminopropyl)propanedioate;dihydrochloride
CID 22364631
methyl (2S)-2,6-dimethylheptanoate
CID 54536148

Frequently Asked Questions

What is the IUPAC name of methyl 2-(aminomethyl)-2,6-dimethylheptanoate?
The IUPAC name of methyl 2-(aminomethyl)-2,6-dimethylheptanoate (CID 106487907) is methyl 2-(aminomethyl)-2,6-dimethylheptanoate.
What is the SMILES notation for methyl 2-(aminomethyl)-2,6-dimethylheptanoate?
The canonical SMILES for methyl 2-(aminomethyl)-2,6-dimethylheptanoate is COC(=O)C(C)(CN)CCCC(C)C.
What is the InChIKey of methyl 2-(aminomethyl)-2,6-dimethylheptanoate?
The InChIKey is SKRRHWDFFNFADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-9(2)6-5-7-11(3,8-12)10(13)14-4/h9H,5-8,12H2,1-4H3.
What are the key properties of methyl 2-(aminomethyl)-2,6-dimethylheptanoate?
methyl 2-(aminomethyl)-2,6-dimethylheptanoate has a molecular weight of 201.31 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(aminomethyl)-2,6-dimethylheptanoate is sourced from PubChem (CID 106487907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).