2,2-dimethyl-6-[methyl(pyridin-4-ylmethyl)amino]hexanoic acid

C15H24N2O2 — CID 106713922

IUPAC2,2-dimethyl-6-[methyl(pyridin-4-ylmethyl)amino]hexanoic acid
SMILESCN(CCCCC(C)(C)C(=O)O)Cc1ccncc1
InChIInChI=1S/C15H24N2O2/c1-15(2,14(18)19)8-4-5-11-17(3)12-13-6-9-16-10-7-13/h6-7,9-10H,4-5,8,11-12H2,1-3H3,(H,18,19)
InChIKeyKVBPHKIXKKTSJP-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.79
Rot. Bonds8

About 2,2-dimethyl-6-[methyl(pyridin-4-ylmethyl)amino]hexanoic acid

2,2-dimethyl-6-[methyl(pyridin-4-ylmethyl)amino]hexanoic acid (PubChem CID 106713922) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2,2-dimethyl-6-[methyl(pyridin-4-ylmethyl)amino]hexanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-6-[methyl(pyridin-4-ylmethyl)amino]hexanoic acid
PubChem CID106713922
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2,2-dimethyl-6-[methyl(pyridin-4-ylmethyl)amino]hexanoic acid
SMILESCN(CCCCC(C)(C)C(=O)O)Cc1ccncc1
InChIInChI=1S/C15H24N2O2/c1-15(2,14(18)19)8-4-5-11-17(3)12-13-6-9-16-10-7-13/h6-7,9-10H,4-5,8,11-12H2,1-3H3,(H,18,19)
InChIKeyKVBPHKIXKKTSJP-UHFFFAOYSA-N
XLogP2.79
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.79
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

2,2-dimethyl-5-[methyl(2-pyridin-4-ylethyl)amino]pentanoic acid
CID 65255191
6-[ethyl(methyl)amino]-2,2-dimethylhexanoic acid
CID 106713898
9-[methyl(pyridin-4-ylmethyl)amino]nonane-1-thiol
CID 105344064
N-tert-butyl-N'-methyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine
CID 60850476
2-methyl-2-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]propanoic acid
CID 61266937
N-methyl-4-piperazin-1-yl-N-(pyridin-4-ylmethyl)butan-1-amine
CID 115240401
2-bromo-N,2-dimethyl-N-(pyridin-4-ylmethyl)propanamide
CID 82109726
2,2-dimethyl-4-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]-4-oxobutanoic acid
CID 65300331
6-[3-methoxypropyl(methyl)amino]-2,2-dimethylhexanoic acid
CID 106714036
5-[(2-fluorophenyl)methyl-methylamino]-2,2-dimethylpentanoic acid
CID 65254792
N-benzyl-N-methyl-2-pyridin-4-ylethanamine
CID 78793254
N-methyl-2-phenyl-N-(pyridin-4-ylmethyl)ethanamine
CID 3817841

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-[methyl(pyridin-4-ylmethyl)amino]hexanoic acid?
The IUPAC name of 2,2-dimethyl-6-[methyl(pyridin-4-ylmethyl)amino]hexanoic acid (CID 106713922) is 2,2-dimethyl-6-[methyl(pyridin-4-ylmethyl)amino]hexanoic acid.
What is the SMILES notation for 2,2-dimethyl-6-[methyl(pyridin-4-ylmethyl)amino]hexanoic acid?
The canonical SMILES for 2,2-dimethyl-6-[methyl(pyridin-4-ylmethyl)amino]hexanoic acid is CN(CCCCC(C)(C)C(=O)O)Cc1ccncc1.
What is the InChIKey of 2,2-dimethyl-6-[methyl(pyridin-4-ylmethyl)amino]hexanoic acid?
The InChIKey is KVBPHKIXKKTSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-15(2,14(18)19)8-4-5-11-17(3)12-13-6-9-16-10-7-13/h6-7,9-10H,4-5,8,11-12H2,1-3H3,(H,18,19).
What are the key properties of 2,2-dimethyl-6-[methyl(pyridin-4-ylmethyl)amino]hexanoic acid?
2,2-dimethyl-6-[methyl(pyridin-4-ylmethyl)amino]hexanoic acid has a molecular weight of 264.37 g/mol, XLogP of 2.79, 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(pyridin-4-ylmethyl)amino]hexanoic acid is sourced from PubChem (CID 106713922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).