2-[[bis(3-methylbutyl)amino]methyl]-2-ethylbutanoic acid

C17H35NO2 — CID 107871178

IUPAC2-[[bis(3-methylbutyl)amino]methyl]-2-ethylbutanoic acid
SMILESCCC(CC)(CN(CCC(C)C)CCC(C)C)C(=O)O
InChIInChI=1S/C17H35NO2/c1-7-17(8-2,16(19)20)13-18(11-9-14(3)4)12-10-15(5)6/h14-15H,7-13H2,1-6H3,(H,19,20)
InChIKeyFYKWAMRISUYJSC-UHFFFAOYSA-N
MW285.47 g/mol
LogP4.27
Rot. Bonds11

About 2-[[bis(3-methylbutyl)amino]methyl]-2-ethylbutanoic acid

2-[[bis(3-methylbutyl)amino]methyl]-2-ethylbutanoic acid (PubChem CID 107871178) has the molecular formula C17H35NO2 and a molecular weight of 285.47 g/mol. Its IUPAC name is 2-[[bis(3-methylbutyl)amino]methyl]-2-ethylbutanoic acid.

Molecular Properties

Compound Name2-[[bis(3-methylbutyl)amino]methyl]-2-ethylbutanoic acid
PubChem CID107871178
Molecular FormulaC17H35NO2
Molecular Weight285.47 g/mol
Exact Mass285.27
IUPAC Name2-[[bis(3-methylbutyl)amino]methyl]-2-ethylbutanoic acid
SMILESCCC(CC)(CN(CCC(C)C)CCC(C)C)C(=O)O
InChIInChI=1S/C17H35NO2/c1-7-17(8-2,16(19)20)13-18(11-9-14(3)4)12-10-15(5)6/h14-15H,7-13H2,1-6H3,(H,19,20)
InChIKeyFYKWAMRISUYJSC-UHFFFAOYSA-N
XLogP4.27
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.47
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[bis(3-methylbutyl)amino]methyl]-2-methylbutanoic acid
CID 107871175
2-[(dibutylamino)methyl]-2-ethylbutanoic acid
CID 62270470
3-[[bis(3-methylbutyl)amino]methyl]pentan-3-ol
CID 107870720
2-ethyl-2-[[propan-2-yl(propyl)amino]methyl]butanoic acid
CID 62272669
2-[[bis(3-methylbutyl)amino]methyl]-2-ethylbutanal
CID 107871114
2,2-diethyl-8-methylnonanoic acid
CID 162011616
2-butyl-2-ethyl-5-methylhexanoic acid
CID 63402909
2-[3-methylbutyl(propyl)amino]acetic acid
CID 61008977
azane;2,2-diethylbutanoic acid
CID 173369262
2,2-diethyl-4-[ethyl(2-methylpropyl)amino]-4-oxobutanoic acid
CID 43437635
N-(2,2-dimethylpropyl)-3-methyl-N-propylbutan-1-amine
CID 166726293
acetic acid;2,2-diethylbutanoic acid
CID 162011618

Frequently Asked Questions

What is the IUPAC name of 2-[[bis(3-methylbutyl)amino]methyl]-2-ethylbutanoic acid?
The IUPAC name of 2-[[bis(3-methylbutyl)amino]methyl]-2-ethylbutanoic acid (CID 107871178) is 2-[[bis(3-methylbutyl)amino]methyl]-2-ethylbutanoic acid.
What is the SMILES notation for 2-[[bis(3-methylbutyl)amino]methyl]-2-ethylbutanoic acid?
The canonical SMILES for 2-[[bis(3-methylbutyl)amino]methyl]-2-ethylbutanoic acid is CCC(CC)(CN(CCC(C)C)CCC(C)C)C(=O)O.
What is the InChIKey of 2-[[bis(3-methylbutyl)amino]methyl]-2-ethylbutanoic acid?
The InChIKey is FYKWAMRISUYJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO2/c1-7-17(8-2,16(19)20)13-18(11-9-14(3)4)12-10-15(5)6/h14-15H,7-13H2,1-6H3,(H,19,20).
What are the key properties of 2-[[bis(3-methylbutyl)amino]methyl]-2-ethylbutanoic acid?
2-[[bis(3-methylbutyl)amino]methyl]-2-ethylbutanoic acid has a molecular weight of 285.47 g/mol, XLogP of 4.27, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[bis(3-methylbutyl)amino]methyl]-2-ethylbutanoic acid is sourced from PubChem (CID 107871178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).