methyl 3-(aminomethyl)-3-ethylheptanoate

C11H23NO2 — CID 66097030

IUPACmethyl 3-(aminomethyl)-3-ethylheptanoate
SMILESCCCCC(CC)(CN)CC(=O)OC
InChIInChI=1S/C11H23NO2/c1-4-6-7-11(5-2,9-12)8-10(13)14-3/h4-9,12H2,1-3H3
InChIKeyBCODVKVIJLXLJJ-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.09
Rot. Bonds7

About methyl 3-(aminomethyl)-3-ethylheptanoate

methyl 3-(aminomethyl)-3-ethylheptanoate (PubChem CID 66097030) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is methyl 3-(aminomethyl)-3-ethylheptanoate.

Molecular Properties

Compound Namemethyl 3-(aminomethyl)-3-ethylheptanoate
PubChem CID66097030
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Namemethyl 3-(aminomethyl)-3-ethylheptanoate
SMILESCCCCC(CC)(CN)CC(=O)OC
InChIInChI=1S/C11H23NO2/c1-4-6-7-11(5-2,9-12)8-10(13)14-3/h4-9,12H2,1-3H3
InChIKeyBCODVKVIJLXLJJ-UHFFFAOYSA-N
XLogP2.09
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-butyl-2-ethylhexan-1-amine
CID 62725100
butyl 3,3-dibutylheptanoate
CID 87595371
2-butyl-2-ethyldodecan-1-amine
CID 55195465
CID 151950073
CID 151950073
2-(aminomethyl)-2-butylpropane-1,3-diol
CID 139977749
2-decyl-2-ethylpropane-1,3-diamine
CID 102189049
methyl 3-dodecyl-3-methylpentadecanoate
CID 175183210
methyl 3,3-dimethylhenicosanoate
CID 575395
methanol;methyl 3-butyl-3-(prop-2-enoyloxymethyl)heptanoate;phthalaldehyde
CID 142038512
5,8-dibutyl-5,8-diethyldodecane
CID 140960006
hydrazine;methyl pentanoate
CID 88709772
2-butyl-2-propylpentane-1,5-diamine
CID 71310126

Frequently Asked Questions

What is the IUPAC name of methyl 3-(aminomethyl)-3-ethylheptanoate?
The IUPAC name of methyl 3-(aminomethyl)-3-ethylheptanoate (CID 66097030) is methyl 3-(aminomethyl)-3-ethylheptanoate.
What is the SMILES notation for methyl 3-(aminomethyl)-3-ethylheptanoate?
The canonical SMILES for methyl 3-(aminomethyl)-3-ethylheptanoate is CCCCC(CC)(CN)CC(=O)OC.
What is the InChIKey of methyl 3-(aminomethyl)-3-ethylheptanoate?
The InChIKey is BCODVKVIJLXLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-4-6-7-11(5-2,9-12)8-10(13)14-3/h4-9,12H2,1-3H3.
What are the key properties of methyl 3-(aminomethyl)-3-ethylheptanoate?
methyl 3-(aminomethyl)-3-ethylheptanoate has a molecular weight of 201.31 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(aminomethyl)-3-ethylheptanoate is sourced from PubChem (CID 66097030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).