2,2-dimethyl-6-[methyl(oxolan-2-ylmethyl)amino]hexanoic acid

C14H27NO3 — CID 106713969

IUPAC2,2-dimethyl-6-[methyl(oxolan-2-ylmethyl)amino]hexanoic acid
SMILESCN(CCCCC(C)(C)C(=O)O)CC1CCCO1
InChIInChI=1S/C14H27NO3/c1-14(2,13(16)17)8-4-5-9-15(3)11-12-7-6-10-18-12/h12H,4-11H2,1-3H3,(H,16,17)
InChIKeyMBJGAGFUASUADH-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.38
Rot. Bonds8

About 2,2-dimethyl-6-[methyl(oxolan-2-ylmethyl)amino]hexanoic acid

2,2-dimethyl-6-[methyl(oxolan-2-ylmethyl)amino]hexanoic acid (PubChem CID 106713969) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is 2,2-dimethyl-6-[methyl(oxolan-2-ylmethyl)amino]hexanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-6-[methyl(oxolan-2-ylmethyl)amino]hexanoic acid
PubChem CID106713969
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name2,2-dimethyl-6-[methyl(oxolan-2-ylmethyl)amino]hexanoic acid
SMILESCN(CCCCC(C)(C)C(=O)O)CC1CCCO1
InChIInChI=1S/C14H27NO3/c1-14(2,13(16)17)8-4-5-9-15(3)11-12-7-6-10-18-12/h12H,4-11H2,1-3H3,(H,16,17)
InChIKeyMBJGAGFUASUADH-UHFFFAOYSA-N
XLogP2.38
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-2-ethyl-5-[methyl(oxolan-2-ylmethyl)amino]pentanoic acid
CID 106805981
N',2,2-trimethyl-N'-(oxolan-2-ylmethyl)hexane-1,6-diamine
CID 106707977
2,2-dimethyl-6-[methyl(oxan-2-ylmethyl)amino]hexanimidamide
CID 106712008
5-[cyclopentylmethyl(methyl)amino]-2,2-dimethylpentanoic acid
CID 65254595
3-[methyl(oxolan-2-ylmethyl)amino]propan-1-ol
CID 60965354
2,2-dimethyl-5-(oxolan-2-ylmethoxy)pentanoic acid
CID 65259862
6-[methyl(oxan-2-ylmethyl)amino]hexan-1-ol
CID 103737833
2-methyl-2-[methyl(oxan-2-ylmethyl)amino]propanoic acid
CID 61434067
N',2,2-trimethyl-N'-(oxolan-2-ylmethyl)butane-1,4-diamine
CID 65246933
2-methyl-2-[[methyl(oxolan-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 61435881
3-(aminomethyl)-6-[methyl(oxolan-2-ylmethyl)amino]hexan-3-ol
CID 106811255
6-[ethyl(methyl)amino]-2,2-dimethylhexanoic acid
CID 106713898

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-[methyl(oxolan-2-ylmethyl)amino]hexanoic acid?
The IUPAC name of 2,2-dimethyl-6-[methyl(oxolan-2-ylmethyl)amino]hexanoic acid (CID 106713969) is 2,2-dimethyl-6-[methyl(oxolan-2-ylmethyl)amino]hexanoic acid.
What is the SMILES notation for 2,2-dimethyl-6-[methyl(oxolan-2-ylmethyl)amino]hexanoic acid?
The canonical SMILES for 2,2-dimethyl-6-[methyl(oxolan-2-ylmethyl)amino]hexanoic acid is CN(CCCCC(C)(C)C(=O)O)CC1CCCO1.
What is the InChIKey of 2,2-dimethyl-6-[methyl(oxolan-2-ylmethyl)amino]hexanoic acid?
The InChIKey is MBJGAGFUASUADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-14(2,13(16)17)8-4-5-9-15(3)11-12-7-6-10-18-12/h12H,4-11H2,1-3H3,(H,16,17).
What are the key properties of 2,2-dimethyl-6-[methyl(oxolan-2-ylmethyl)amino]hexanoic acid?
2,2-dimethyl-6-[methyl(oxolan-2-ylmethyl)amino]hexanoic acid has a molecular weight of 257.37 g/mol, XLogP of 2.38, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-[methyl(oxolan-2-ylmethyl)amino]hexanoic acid is sourced from PubChem (CID 106713969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).