2-methyl-2-(methylamino)pentadecanoic acid

C17H35NO2 — CID 90221334

IUPAC2-methyl-2-(methylamino)pentadecanoic acid
SMILESCCCCCCCCCCCCCC(C)(NC)C(=O)O
InChIInChI=1S/C17H35NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(2,18-3)16(19)20/h18H,4-15H2,1-3H3,(H,19,20)
InChIKeyWSWUFXPSTNPNCX-UHFFFAOYSA-N
MW285.47 g/mol
LogP4.75
Rot. Bonds14

About 2-methyl-2-(methylamino)pentadecanoic acid

2-methyl-2-(methylamino)pentadecanoic acid (PubChem CID 90221334) has the molecular formula C17H35NO2 and a molecular weight of 285.47 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)pentadecanoic acid.

Molecular Properties

Compound Name2-methyl-2-(methylamino)pentadecanoic acid
PubChem CID90221334
Molecular FormulaC17H35NO2
Molecular Weight285.47 g/mol
Exact Mass285.27
IUPAC Name2-methyl-2-(methylamino)pentadecanoic acid
SMILESCCCCCCCCCCCCCC(C)(NC)C(=O)O
InChIInChI=1S/C17H35NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(2,18-3)16(19)20/h18H,4-15H2,1-3H3,(H,19,20)
InChIKeyWSWUFXPSTNPNCX-UHFFFAOYSA-N
XLogP4.75
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.47
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-2-(methylamino)nonanoic acid
CID 43753674
2-methyl-2-(methylamino)heptanamide
CID 80557436
(2R)-2-methyl-2-(methylamino)dec-9-enoic acid
CID 131871099
2-(2,2-dihydroxyethylamino)-2-methyltetradecanoic acid
CID 151765471
2-methyl-2-(3-methylbutan-2-ylamino)octanoic acid
CID 114994118
(2R)-2-hydroxy-2-methyloctadecanoic acid
CID 172684339
2-hydroxy-2-methylheptadecanoic acid
CID 19591844
(2S)-2-methyl-2-(methylamino)oct-7-enoic acid
CID 163656905
2-methyl-2-(prop-2-enoylamino)pentacosanoic acid
CID 158599101
2-methyl-2-(prop-2-enoylamino)tetradecanoic acid
CID 175553153
2-methyl-2-(methylamino)-6-pentan-2-yloxyhexanoic acid
CID 102984383
(2R)-2-methyl-2-(3-oxododecanoylamino)decanoic acid
CID 162532296

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)pentadecanoic acid?
The IUPAC name of 2-methyl-2-(methylamino)pentadecanoic acid (CID 90221334) is 2-methyl-2-(methylamino)pentadecanoic acid.
What is the SMILES notation for 2-methyl-2-(methylamino)pentadecanoic acid?
The canonical SMILES for 2-methyl-2-(methylamino)pentadecanoic acid is CCCCCCCCCCCCCC(C)(NC)C(=O)O.
What is the InChIKey of 2-methyl-2-(methylamino)pentadecanoic acid?
The InChIKey is WSWUFXPSTNPNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(2,18-3)16(19)20/h18H,4-15H2,1-3H3,(H,19,20).
What are the key properties of 2-methyl-2-(methylamino)pentadecanoic acid?
2-methyl-2-(methylamino)pentadecanoic acid has a molecular weight of 285.47 g/mol, XLogP of 4.75, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)pentadecanoic acid is sourced from PubChem (CID 90221334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).