2,2-dimethyl-4-[methyl(4-methylpentyl)amino]butanoic acid

C13H27NO2 — CID 115221210

IUPAC2,2-dimethyl-4-[methyl(4-methylpentyl)amino]butanoic acid
SMILESCC(C)CCCN(C)CCC(C)(C)C(=O)O
InChIInChI=1S/C13H27NO2/c1-11(2)7-6-9-14(5)10-8-13(3,4)12(15)16/h11H,6-10H2,1-5H3,(H,15,16)
InChIKeyLVYGTKBHHCTIMS-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.86
Rot. Bonds8

About 2,2-dimethyl-4-[methyl(4-methylpentyl)amino]butanoic acid

2,2-dimethyl-4-[methyl(4-methylpentyl)amino]butanoic acid (PubChem CID 115221210) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 2,2-dimethyl-4-[methyl(4-methylpentyl)amino]butanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-4-[methyl(4-methylpentyl)amino]butanoic acid
PubChem CID115221210
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name2,2-dimethyl-4-[methyl(4-methylpentyl)amino]butanoic acid
SMILESCC(C)CCCN(C)CCC(C)(C)C(=O)O
InChIInChI=1S/C13H27NO2/c1-11(2)7-6-9-14(5)10-8-13(3,4)12(15)16/h11H,6-10H2,1-5H3,(H,15,16)
InChIKeyLVYGTKBHHCTIMS-UHFFFAOYSA-N
XLogP2.86
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[bis(2-methylpropyl)amino]-2,2-dimethylpentanoic acid
CID 65254635
2,2-dimethyl-4-[methyl(4-methylpentan-2-yl)amino]butanoic acid
CID 65248118
6-[ethyl(methyl)amino]-2,2-dimethylhexanoic acid
CID 106713898
6-[3-methoxypropyl(methyl)amino]-2,2-dimethylhexanoic acid
CID 106714036
N-(2,2-dimethylpropyl)-N,4-dimethylpentan-1-amine
CID 90148563
5-[butan-2-yl(methyl)amino]-2,2-dimethylpentanoic acid
CID 65254735
N-butyl-N,4-dimethylpentan-1-amine
CID 88539043
N,N'-dimethyl-N'-(4-methylpentyl)butane-1,4-diamine
CID 115202176
4-methyl-1-[methyl(4-methylpentyl)amino]pentan-2-one
CID 58534733
2,2-dimethyl-6-[methyl(3-methylbutan-2-yl)amino]hexanoic acid
CID 106713917
3,3,7-trimethyloctan-2-one
CID 88712465
N-(2-chloroethyl)-N,4-dimethylpentan-1-amine
CID 83168960

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-[methyl(4-methylpentyl)amino]butanoic acid?
The IUPAC name of 2,2-dimethyl-4-[methyl(4-methylpentyl)amino]butanoic acid (CID 115221210) is 2,2-dimethyl-4-[methyl(4-methylpentyl)amino]butanoic acid.
What is the SMILES notation for 2,2-dimethyl-4-[methyl(4-methylpentyl)amino]butanoic acid?
The canonical SMILES for 2,2-dimethyl-4-[methyl(4-methylpentyl)amino]butanoic acid is CC(C)CCCN(C)CCC(C)(C)C(=O)O.
What is the InChIKey of 2,2-dimethyl-4-[methyl(4-methylpentyl)amino]butanoic acid?
The InChIKey is LVYGTKBHHCTIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-11(2)7-6-9-14(5)10-8-13(3,4)12(15)16/h11H,6-10H2,1-5H3,(H,15,16).
What are the key properties of 2,2-dimethyl-4-[methyl(4-methylpentyl)amino]butanoic acid?
2,2-dimethyl-4-[methyl(4-methylpentyl)amino]butanoic acid has a molecular weight of 229.36 g/mol, XLogP of 2.86, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-[methyl(4-methylpentyl)amino]butanoic acid is sourced from PubChem (CID 115221210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).