2,2-dimethyl-6-[methyl(3-methylbutan-2-yl)amino]hexanoic acid

C14H29NO2 — CID 106713917

IUPAC2,2-dimethyl-6-[methyl(3-methylbutan-2-yl)amino]hexanoic acid
SMILESCC(C)C(C)N(C)CCCCC(C)(C)C(=O)O
InChIInChI=1S/C14H29NO2/c1-11(2)12(3)15(6)10-8-7-9-14(4,5)13(16)17/h11-12H,7-10H2,1-6H3,(H,16,17)
InChIKeyZYDXQFIFYLJJNP-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.24
Rot. Bonds8

About 2,2-dimethyl-6-[methyl(3-methylbutan-2-yl)amino]hexanoic acid

2,2-dimethyl-6-[methyl(3-methylbutan-2-yl)amino]hexanoic acid (PubChem CID 106713917) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 2,2-dimethyl-6-[methyl(3-methylbutan-2-yl)amino]hexanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-6-[methyl(3-methylbutan-2-yl)amino]hexanoic acid
PubChem CID106713917
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name2,2-dimethyl-6-[methyl(3-methylbutan-2-yl)amino]hexanoic acid
SMILESCC(C)C(C)N(C)CCCCC(C)(C)C(=O)O
InChIInChI=1S/C14H29NO2/c1-11(2)12(3)15(6)10-8-7-9-14(4,5)13(16)17/h11-12H,7-10H2,1-6H3,(H,16,17)
InChIKeyZYDXQFIFYLJJNP-UHFFFAOYSA-N
XLogP3.24
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[butan-2-yl(methyl)amino]-2,2-dimethylpentanoic acid
CID 65254735
2,2-dimethyl-5-[methyl(pentan-3-yl)amino]pentanoic acid
CID 65254940
6-[ethyl(methyl)amino]-2,2-dimethylhexanoic acid
CID 106713898
5-[bis(2-methylpropyl)amino]-2,2-dimethylpentanoic acid
CID 65254635
6-[3-methoxypropyl(methyl)amino]-2,2-dimethylhexanoic acid
CID 106714036
6-[2-(dimethylamino)ethyl-propylamino]-2,2-dimethylhexanoic acid
CID 106713981
2,2-dimethyl-4-[methyl(4-methylpentan-2-yl)amino]butanoic acid
CID 65248118
7-tert-butyl-2,2-dimethyloctanedioic acid
CID 87586628
2-methyl-2-[[methyl(3-methylbutan-2-yl)amino]methyl]pentanoic acid
CID 62270300
5-amino-2,2-dimethylpentanoic acid;2-(dimethylamino)propanoic acid
CID 174765019
2,2-dimethyl-4-[methyl(4-methylpentyl)amino]butanoic acid
CID 115221210
18-hydroxy-2,2-dimethyloctadecanoic acid
CID 12988628

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-[methyl(3-methylbutan-2-yl)amino]hexanoic acid?
The IUPAC name of 2,2-dimethyl-6-[methyl(3-methylbutan-2-yl)amino]hexanoic acid (CID 106713917) is 2,2-dimethyl-6-[methyl(3-methylbutan-2-yl)amino]hexanoic acid.
What is the SMILES notation for 2,2-dimethyl-6-[methyl(3-methylbutan-2-yl)amino]hexanoic acid?
The canonical SMILES for 2,2-dimethyl-6-[methyl(3-methylbutan-2-yl)amino]hexanoic acid is CC(C)C(C)N(C)CCCCC(C)(C)C(=O)O.
What is the InChIKey of 2,2-dimethyl-6-[methyl(3-methylbutan-2-yl)amino]hexanoic acid?
The InChIKey is ZYDXQFIFYLJJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-11(2)12(3)15(6)10-8-7-9-14(4,5)13(16)17/h11-12H,7-10H2,1-6H3,(H,16,17).
What are the key properties of 2,2-dimethyl-6-[methyl(3-methylbutan-2-yl)amino]hexanoic acid?
2,2-dimethyl-6-[methyl(3-methylbutan-2-yl)amino]hexanoic acid has a molecular weight of 243.39 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-[methyl(3-methylbutan-2-yl)amino]hexanoic acid is sourced from PubChem (CID 106713917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).