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

C16H33NO2 — CID 107871175

IUPAC2-[[bis(3-methylbutyl)amino]methyl]-2-methylbutanoic acid
SMILESCCC(C)(CN(CCC(C)C)CCC(C)C)C(=O)O
InChIInChI=1S/C16H33NO2/c1-7-16(6,15(18)19)12-17(10-8-13(2)3)11-9-14(4)5/h13-14H,7-12H2,1-6H3,(H,18,19)
InChIKeyNOABIUWKRFITOV-UHFFFAOYSA-N
MW271.44 g/mol
LogP3.88
Rot. Bonds10

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

2-[[bis(3-methylbutyl)amino]methyl]-2-methylbutanoic acid (PubChem CID 107871175) has the molecular formula C16H33NO2 and a molecular weight of 271.44 g/mol. Its IUPAC name is 2-[[bis(3-methylbutyl)amino]methyl]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[[bis(3-methylbutyl)amino]methyl]-2-methylbutanoic acid
PubChem CID107871175
Molecular FormulaC16H33NO2
Molecular Weight271.44 g/mol
Exact Mass271.25
IUPAC Name2-[[bis(3-methylbutyl)amino]methyl]-2-methylbutanoic acid
SMILESCCC(C)(CN(CCC(C)C)CCC(C)C)C(=O)O
InChIInChI=1S/C16H33NO2/c1-7-16(6,15(18)19)12-17(10-8-13(2)3)11-9-14(4)5/h13-14H,7-12H2,1-6H3,(H,18,19)
InChIKeyNOABIUWKRFITOV-UHFFFAOYSA-N
XLogP3.88
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.44
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[bis(3-methylbutyl)amino]methyl]-2-ethylbutanoic acid
CID 107871178
2-ethyl-2,5-dimethylhexanoic acid;λ2-stannane
CID 173040977
3-[[bis(3-methylbutyl)amino]methyl]pentan-3-ol
CID 107870720
2-[(dihydroxyamino)methyl]-2-methylbutanoic acid
CID 133065164
2-[[ethyl(methyl)amino]methyl]-2-methylbutanoic acid
CID 62272487
N-(2,2-dimethylpropyl)-3-methyl-N-propylbutan-1-amine
CID 166726293
2-[[bis(3-methylbutyl)amino]methyl]-2-ethylbutanal
CID 107871114
2-[[ethyl(2-methoxyethyl)amino]methyl]-2-methylbutanoic acid
CID 62271797
2-[3-methylbutyl(propyl)amino]acetic acid
CID 61008977
2-ethyl-2-methyl-N,N-bis(3-methylbutyl)-N'-propan-2-ylpropane-1,3-diamine
CID 107871143
(2S)-2-ethyl-2,4,6-trimethylheptanoic acid;2-methylpropane
CID 178133333
(2S)-2-(hydroxymethyl)-2-methylbutanoic acid
CID 124539750

Frequently Asked Questions

What is the IUPAC name of 2-[[bis(3-methylbutyl)amino]methyl]-2-methylbutanoic acid?
The IUPAC name of 2-[[bis(3-methylbutyl)amino]methyl]-2-methylbutanoic acid (CID 107871175) is 2-[[bis(3-methylbutyl)amino]methyl]-2-methylbutanoic acid.
What is the SMILES notation for 2-[[bis(3-methylbutyl)amino]methyl]-2-methylbutanoic acid?
The canonical SMILES for 2-[[bis(3-methylbutyl)amino]methyl]-2-methylbutanoic acid is CCC(C)(CN(CCC(C)C)CCC(C)C)C(=O)O.
What is the InChIKey of 2-[[bis(3-methylbutyl)amino]methyl]-2-methylbutanoic acid?
The InChIKey is NOABIUWKRFITOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO2/c1-7-16(6,15(18)19)12-17(10-8-13(2)3)11-9-14(4)5/h13-14H,7-12H2,1-6H3,(H,18,19).
What are the key properties of 2-[[bis(3-methylbutyl)amino]methyl]-2-methylbutanoic acid?
2-[[bis(3-methylbutyl)amino]methyl]-2-methylbutanoic acid has a molecular weight of 271.44 g/mol, XLogP of 3.88, 10 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-methylbutanoic acid is sourced from PubChem (CID 107871175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).