tert-butyl 2-(aminomethyl)-5-methyloctanoate

C14H29NO2 — CID 154249144

IUPACtert-butyl 2-(aminomethyl)-5-methyloctanoate
SMILESCCCC(C)CCC(CN)C(=O)OC(C)(C)C
InChIInChI=1S/C14H29NO2/c1-6-7-11(2)8-9-12(10-15)13(16)17-14(3,4)5/h11-12H,6-10,15H2,1-5H3
InChIKeyHMUYZEOSONLRNF-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.12
Rot. Bonds7

About tert-butyl 2-(aminomethyl)-5-methyloctanoate

tert-butyl 2-(aminomethyl)-5-methyloctanoate (PubChem CID 154249144) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is tert-butyl 2-(aminomethyl)-5-methyloctanoate.

Molecular Properties

Compound Nametert-butyl 2-(aminomethyl)-5-methyloctanoate
PubChem CID154249144
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Nametert-butyl 2-(aminomethyl)-5-methyloctanoate
SMILESCCCC(C)CCC(CN)C(=O)OC(C)(C)C
InChIInChI=1S/C14H29NO2/c1-6-7-11(2)8-9-12(10-15)13(16)17-14(3,4)5/h11-12H,6-10,15H2,1-5H3
InChIKeyHMUYZEOSONLRNF-UHFFFAOYSA-N
XLogP3.12
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2S)-2-(aminomethyl)butanoate
CID 129371399
ditert-butyl 2-methyl-5-propylhexanedioate
CID 175603524
tert-butyl 2-(aminomethyl)-4-bromobutanoate
CID 87721894
tert-butyl (2R)-2-hydroxypentanoate
CID 90988150
tert-butyl 2-propyldecanoate
CID 141018568
tert-butyl (2S)-2-(aminomethyl)-4-hydroxy-4-methylpentanoate
CID 89058843
tert-butyl 2-butyloctanoate
CID 141041345
tert-butyl 2-(4-aminobutyl)-5-methylhexanoate
CID 151498461
methyl 2-(aminomethyl)pentanoate
CID 65220226
tert-butyl 7-amino-2-(5-aminopentyl)heptanoate
CID 140652279
tert-butyl 2-ethylnonanoate;ethane
CID 175268802
2-aminoacetic acid;4-methylheptane
CID 143106228

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(aminomethyl)-5-methyloctanoate?
The IUPAC name of tert-butyl 2-(aminomethyl)-5-methyloctanoate (CID 154249144) is tert-butyl 2-(aminomethyl)-5-methyloctanoate.
What is the SMILES notation for tert-butyl 2-(aminomethyl)-5-methyloctanoate?
The canonical SMILES for tert-butyl 2-(aminomethyl)-5-methyloctanoate is CCCC(C)CCC(CN)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(aminomethyl)-5-methyloctanoate?
The InChIKey is HMUYZEOSONLRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-6-7-11(2)8-9-12(10-15)13(16)17-14(3,4)5/h11-12H,6-10,15H2,1-5H3.
What are the key properties of tert-butyl 2-(aminomethyl)-5-methyloctanoate?
tert-butyl 2-(aminomethyl)-5-methyloctanoate has a molecular weight of 243.39 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(aminomethyl)-5-methyloctanoate is sourced from PubChem (CID 154249144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).