3-(aminomethyl)-3-ethyl-5-methylhexanoic acid

C10H21NO2 — CID 11332915

IUPAC3-(aminomethyl)-3-ethyl-5-methylhexanoic acid
SMILESCCC(CN)(CC(=O)O)CC(C)C
InChIInChI=1S/C10H21NO2/c1-4-10(7-11,5-8(2)3)6-9(12)13/h8H,4-7,11H2,1-3H3,(H,12,13)
InChIKeyQQJBXJITVVXFJG-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.86
Rot. Bonds6

About 3-(aminomethyl)-3-ethyl-5-methylhexanoic acid

3-(aminomethyl)-3-ethyl-5-methylhexanoic acid (PubChem CID 11332915) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 3-(aminomethyl)-3-ethyl-5-methylhexanoic acid.

Molecular Properties

Compound Name3-(aminomethyl)-3-ethyl-5-methylhexanoic acid
PubChem CID11332915
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name3-(aminomethyl)-3-ethyl-5-methylhexanoic acid
SMILESCCC(CN)(CC(=O)O)CC(C)C
InChIInChI=1S/C10H21NO2/c1-4-10(7-11,5-8(2)3)6-9(12)13/h8H,4-7,11H2,1-3H3,(H,12,13)
InChIKeyQQJBXJITVVXFJG-UHFFFAOYSA-N
XLogP1.86
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-3-ethyl-5-methylhexanoic acid?
The IUPAC name of 3-(aminomethyl)-3-ethyl-5-methylhexanoic acid (CID 11332915) is 3-(aminomethyl)-3-ethyl-5-methylhexanoic acid.
What is the SMILES notation for 3-(aminomethyl)-3-ethyl-5-methylhexanoic acid?
The canonical SMILES for 3-(aminomethyl)-3-ethyl-5-methylhexanoic acid is CCC(CN)(CC(=O)O)CC(C)C.
What is the InChIKey of 3-(aminomethyl)-3-ethyl-5-methylhexanoic acid?
The InChIKey is QQJBXJITVVXFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-4-10(7-11,5-8(2)3)6-9(12)13/h8H,4-7,11H2,1-3H3,(H,12,13).
What are the key properties of 3-(aminomethyl)-3-ethyl-5-methylhexanoic acid?
3-(aminomethyl)-3-ethyl-5-methylhexanoic acid has a molecular weight of 187.28 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-3-ethyl-5-methylhexanoic acid is sourced from PubChem (CID 11332915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).